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Auramine O
CAS: 2465-27-2 | C17H22ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2465-27-2
Molecular Formula:
C17H22ClN3
Molecular Mass:
303.84 g/mol
Names and Synonyms:
Auramine O
Benzenamine, 4,4′-carbonimidoylbis[N,N-dimethyl-, monohydrochloride
C.I. Basic Yellow 2
C.I. 41000
ADC Auramine O
Aizen Auramine
Aizen Auramine conc.SFA
Aizen Auramine OH
Auramine A1
Auramine N
Auramine O
Auramine Extra
Auramine Extra Conc. A
Auramine O Extra Conc. A Export
Auramine FA
Auramine hydrochloride
Auramine II
Auramine Lake Yellow O
Auramine ON
Auramine OO
Auramine OOO
Auramine OS
Auramine Pure
Auramine SP
Auramine Yellow
Calcozine Yellow OX
Mitsui Auramine O
Auramine
Auramine FWA
Auramine 0-100
Basic Yellow 2
Auramine chloride
Auramin
Basonyl Yellow 120
Arazine Yellow
Flexo Yellow 110
Aizen Auramine OW 100
Basic Light Yellow
Auramine Extra 0-125
Auramine Extra 0-100
Basic Flavine Yellow O
Basic Light Yellow O
Basic yellow O
Benzenamine, 4,4′-carbonimidoylbis[N,N-dimethyl-, hydrochloride (1:1)
C.I. Basic Yellow 2, monohydrochloride
Identifiers:
SMILES:
CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1.Cl
InChI:
InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
Key Properties
Melting Point
>250 °C (decomp)
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.84 g/mol | CAS Common Chemistry |
| 303.83699999999993 g/mol | RDKit | |
| 303.15022538399995 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Auramine_O | CAS Common Chemistry |
| Canonical SMILES | Cl.N=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=KSCQDDRPFHTIRL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >250 °C (decomp) | CAS Common Chemistry |
| Name | C.I. Basic Yellow 2 | CAS Common Chemistry |
| Auramine O | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 30.330000000000005 Ų | RDKit |
| LogP | 3.6565700000000025 | RDKit |
| Molar Refractivity | 94.71670000000003 | RDKit |
