2,2-Dimethyl-1,3-propanediamine

C₅H₁₄N₂CAS 7328-91-8102.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₄N₂
Molar mass: 102.18 g/mol
Exact mass: 102.1157 Da
Boiling point: 77–78 °C
logP: -0.07Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor25.5% of notifiers
H302 Harmful if swallowed70.6% of notifiers
H312 Harmful in contact with skin70.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction70.6% of notifiers
H318 Causes serious eye damage71.2% of notifiers

Aggregated from 153 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, 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

7328-91-8

SMILES

CC(C)(CN)CN

InChIKey

DDHUNHGZUHZNKB-UHFFFAOYSA-N

InChI

InChI=1S/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

1,3-Propanediamine, 2,2-dimethyl-
2,2-Dimethyl-1,3-diaminopropane
1,3-Diamino-2,2-dimethylpropane
2,2-Dimethyltrimethylenediamine
1,2-Diamino-2,2-dimethylpropane
NSC 17719
2,2-Dimethyl-1,3-propylenediamine
(3-Amino-2,2-dimethylpropyl)amine
2,2-Dimethylpropanediamine

Work with 2,2-Dimethyl-1,3-propanediamine

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

Similar compounds

3-Amino-2,2-dimethyl-1-propanol26734-09-861 % similar Neopentylamine5813-64-950 % similar 2-Methylpropylenediamine811-93-844 % similar 1-Amino-2-methyl-2-propanol2854-16-242 % similar (3-Methyloxetan-3-yl)methanamine153209-97-338 % similar Isophorone diamine2855-13-237 % similar 2-Methyl-3-aminopropane-2-thiol hydrochloride32047-53-336 % similar 2,2-Difluoropropylamine hydrochloride868241-48-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Ethyl-1,3-propanediamine10563-23-2 Dimethylaminopropylamine109-55-7 N,N'-Dimethyl-1,3-propanediamine111-33-1 N,N,N′-Trimethylethylenediamine142-25-6 N-Isopropylethylenediamine19522-67-9 Cadaverine462-94-2 Bis(dimethylamino)methane51-80-9

Elsewhere

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