2-Methylpropylenediamine

C₄H₁₂N₂CAS 811-93-888.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₂N₂
Molar mass: 88.15 g/mol
Exact mass: 88.1000 Da
Melting point: 120–120.8 °C
Boiling point: 59 °C (at 20 Torr)
logP: -0.32Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed59.4% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction58.3% of notifiers
H318 Causes serious eye damage59.4% of notifiers
H412 Harmful to aquatic life with long lasting effects58.3% of notifiers

Aggregated from 96 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

811-93-8

SMILES

CC(C)(N)CN

InChIKey

OPCJOXGBLDJWRM-UHFFFAOYSA-N

InChI

InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all

1,2-Diamino-2-methylpropane
1,2-Propanediamine, 2-methyl-
C,C-Dimethylethylenediamine
2-Methyl-1,2-propanediamine
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

Work with 2-Methylpropylenediamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Amylamine594-39-847 % similar 2,4,4-Trimethyl-2-pentanamine107-45-945 % similar Aminomethyl propanol124-68-545 % similar Neopentylamine5813-64-944 % similar 2,2-Dimethyl-1,3-propanediamine7328-91-844 % similar 1-Amino-2-methyl-2-propanol2854-16-238 % similar 4-Amino-4-methyl-2-pentanone625-04-736 % similar (3-Methyloxetan-3-yl)methanamine153209-97-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,1-Dimethylethylenediamine108-00-9 Putrescine110-60-1 N,N′-Dimethylethylenediamine110-70-3 N-Ethylethylenediamine110-72-5 1,2-Diethylhydrazine1615-80-1 N-Methyl-1,3-propanediamine6291-84-5

Elsewhere

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