1,2-Dimethylpropylamine

C₅H₁₃NCAS 598-74-387.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₃N
Molar mass: 87.17 g/mol
Exact mass: 87.1048 Da
Density: 0.7478 g/mL (at 23 °C)
Melting point: −50 °C
Boiling point: 85.5 °C
logP: 0.99Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin12.8% of notifiers
H312 Harmful in contact with skin87.2% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled10.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

598-74-3

SMILES

CC(C)C(C)N

InChIKey

JOZZAIIGWFLONA-UHFFFAOYSA-N

InChI

InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3

Weigh it out

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

Names and synonyms

10 names

2-Butanamine, 3-methyl-
Propylamine, 1,2-dimethyl-
3-Methyl-2-butanamine
3-Methyl-2-aminobutane
2-Amino-3-methylbutane
1,2-Dimethylpropanamine
(±)-3-Methyl-2-butanamine
(±)-3-Methyl-2-butylamine
3-Methyl-2-butylamine
(3-Methylbutan-2-yl)amine

Work with 1,2-Dimethylpropylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(-)-2-Amino-3-methylbutane34701-33-2Defined stereoisomer

Similar compounds

2,3-Dimethylbutane79-29-838 % similar (S)-(+)-1-Cyclohexylethylamine17430-98-738 % similar (-)-1-Cyclohexylethylamine5913-13-338 % similar Valinol16369-05-432 % similar (+)-Valinol2026-48-432 % similar D-Valinol4276-09-932 % similar (±)-Valinol473-75-632 % similar 2,3,4-Trimethylpentane565-75-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamylamine107-85-7 1-Aminopentane110-58-7 Methylbutylamine110-68-9 N,2-Dimethyl-2-propanamine14610-37-8 N-Ethyl-2-propanamine19961-27-4 Ethylpropylamine20193-20-8 Neopentylamine5813-64-9

Elsewhere

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