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Molecule
1,2-Diamino-2-Methylpropane
CAS: 811-93-8 · C4H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 811-93-8
- Molecular Formula
- C4H12N2
- Molecular Mass
- 88.15 g/mol
Identifiers
CAS Registry Number
811-93-8
SMILES
CC(C)(N)CN
InChI Key
OPCJOXGBLDJWRM-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
Names and Synonyms
- 1,2-Diamino-2-Methylpropane Synonym
- 1,2-Propanediamine, 2-methyl- Synonym
- C,C-Dimethylethylenediamine Synonym
- 2-Methyl-1,2-propanediamine Synonym
- 1,2-Diamino-2-methylpropane Synonym
- 2,3-Diamino-2-methylpropane Synonym
- 2-Methyl-1,2-diaminopropane Synonym
- 1,1-Dimethylethylenediamine Synonym
- 2,2-Dimethylethylenediamine Synonym
- 2-Amino-2-methylpropylamine Synonym
- Isobutylenediamine Synonym
- 1,1-Dimethyl-1,2-ethanediamine Synonym
- NSC 114220 Synonym
- NSC 17717 Synonym
- (2-Amino-1,1-dimethylethyl)amine Synonym
- 2-Methylpropan-1,2-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.15 g/mol | CAS Common Chemistry |
| 88.15400000000001 g/mol | RDKit | |
| 88.154 g/mol | RDKit | |
| 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 |
| -0.3176 | RDKit | |
| Molar Refractivity | 27.3208 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 88.10004838399999 g/mol | RDKit |
| Boiling Point | 59 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 88.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H12N2.
