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4010A
CAS: 101-72-4 | C15H18N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
101-72-4
Molecular Formula:
C15H18N2
Molecular Weight:
226.323 g/mol
Names and Synonyms:
4010A
N-Isopropyl-N'-Phenyl-1,4-Phenylenediamine
1,4-Benzenediamine, N1-(1-methylethyl)-N4-phenyl-
p-Phenylenediamine, N-isopropyl-N′-phenyl-
1,4-Benzenediamine, N-(1-methylethyl)-N′-phenyl-
N1-(1-Methylethyl)-N4-phenyl-1,4-benzenediamine
Cyzone IP
4-(Isopropylamino)diphenylamine
N-Isopropyl-N′-phenyl-p-phenylenediamine
Nonox ZA
N-2-Propyl-N′-phenyl-p-phenylenediamine
Santoflex 36
4010NA
Diafen FP
N-Phenyl-N1-isopropyl-p-phenylenediamine
Santoflex IP
Antioxidant IP
Ipognox 44
Antioxidant 4010NA
N-Isopropyl-N′-phenyl-p-phenyldiamine
N-Phenyl-N′-isopropyl-p-phenylenediamine
Flexzone 3C
p-(Isopropylamino)diphenylamine
ASM 4010MA
Permanax 115
Orflex PP
Antioxidant 40NA
N-Isopropyl-N′-phenyl-1,4-phenylenediamine
Diaphen FP
4-Anilino-N-isopropylaniline
N-Phenyl-N′-isopropyl-1,4-phenylenediamine
Antigene 3C
Antigen 3C
Nocrac 810NA
Accinox ZA
Vulkanox 4010NA
NA 4010
IPPD
810NA
Naugard I 4
Vulkanox 4020NA
Permanax IPPD
Diafen PP
Dusantox IPPD
Antioxidant CD
AO-CD
Santoflex IPPD
Nocrac 3C
Antage 3C
NSC 41029
N-(1-Methylethyl)-N′-phenyl-1,4-benzenediamine
Vulkanox 4010NA-LG
Nocrac 810MA
Flexzone 3P
Diaphene FP
4-Isopropylamino-1-phenylaminobenzene
N-Isopropyl-N′-phenyl-1,4-benzenediamine
Ozonone 3C
N 1040
N-Isopropyl-N′-phenyl-4-phenylenediamine
Vulkanox 4010A
N-Isopropyl-N′-phenyl-p-phenylendiamine
Vulkanox 4010
Antiozonant PD 1
PD 1
Antioxidant 4010A
Antioxidant 3C
N-Phenyl-N′-isopropyl-p-phenylanediamine
Antioxidant IPPD
1-N-Phenyl-4-N-(propan-2-yl)benzene-1,4-diamine
1-N-Phenyl-4-N-propan-2-ylbenzene-1,4-diamine
Identifiers:
SMILES:
CC(C)Nc1ccc(Nc2ccccc2)cc1
InChI:
InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 226.323 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 226.146998576 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.06 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.250500000000002 | RDKit |
| molecular_mass | 226.32 g/mol | Legacy Database |
| density | 1.04 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Isopropyl-N%27-phenyl-1,4-phenylenediamine None | Legacy Database |
| cas-boiling-point | 161 °C None | Legacy Database |
| cas-canonical-smile | C=1C=CC(=CC1)NC2=CC=C(C=C2)NC(C)C None | Legacy Database |
| cas-density | 1.04 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OUBMGJOQLXMSNT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 75 °C None | Legacy Database |
| cas-name | Antioxidant 4010NA None | Legacy Database |
| wikipedia-name | N-Isopropyl-N'-phenyl-1,4-phenylenediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 74.92540000000005 | RDKit |
