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1,2-Diamino-2-Methylpropane
CAS: 811-93-8 | C4H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
811-93-8
Molecular Formula:
C4H12N2
Molecular Mass:
88.15 g/mol
Names and Synonyms:
1,2-Diamino-2-Methylpropane
1,2-Propanediamine, 2-methyl-
C,C-Dimethylethylenediamine
2-Methyl-1,2-propanediamine
1,2-Diamino-2-methylpropane
2,3-Diamino-2-methylpropane
2-Methyl-1,2-diaminopropane
1,1-Dimethylethylenediamine
2,2-Dimethylethylenediamine
2-Amino-2-methylpropylamine
Isobutylenediamine
1,1-Dimethyl-1,2-ethanediamine
NSC 114220
NSC 17717
(2-Amino-1,1-dimethylethyl)amine
2-Methylpropan-1,2-diamine
Identifiers:
SMILES:
CC(C)(N)CN
InChI:
InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
Key Properties
Boiling Point
59 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
120-120.8 °C
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 | 88.15 g/mol | CAS Common Chemistry |
| 88.15400000000001 g/mol | RDKit | |
| 88.10004838399999 g/mol | RDKit | |
| Boiling Point | 59 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | NCC(N)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OPCJOXGBLDJWRM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120-120.8 °C | CAS Common Chemistry |
| Name | 1,2-Diamino-2-methylpropane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | -0.31760000000000027 | RDKit |
| Molar Refractivity | 27.3208 | RDKit |
