2-Methyl-1H-imidazole-1-propanamine

C₇H₁₃N₃CAS 2258-21-1139.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃N₃
Molar mass: 139.20 g/mol
Exact mass: 139.1109 Da
Boiling point: 110–112 °C (at NaN Torr)
logP: 0.54Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed98.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage41.2% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

2258-21-1

SMILES

Cc1nccn1CCCN

InChIKey

NDUDHWBKFFJGMA-UHFFFAOYSA-N

InChI

InChI=1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3

Weigh it out

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

Names and synonyms

7 names

1H-Imidazole-1-propanamine, 2-methyl-
Imidazole, 1-(3-aminopropyl)-2-methyl-
1-(3-Aminopropyl)-2-methylimidazole
1-(3′-Aminopropyl)-2-methylimidazole
3-(2-Methylimidazol-1-yl)propylamine
3-(2-Methylimidazol-1-yl)propan-1-amine
3-(2-Methyl-1H-imidazol-1-yl)propan-1-amine

Work with 2-Methyl-1H-imidazole-1-propanamine

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

1-Butyl-2-methyl-1H-imidazole13435-22-866 % similar 1-Propyl-2-methylimidazole33214-18-559 % similar N-Ethyl-2-methylimidazole21202-52-858 % similar 2-Methyl-1H-imidazole-1-ethanol1615-15-258 % similar 1-Cyanoethyl-2-methylimidazole23996-55-653 % similar 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid24647-62-949 % similar 1-Benzyl-2-methylimidazole13750-62-446 % similar 1,2-Dimethylimidazole1739-84-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Piperazin-1-yl)propanenitrile34064-86-3 Triazabicyclodecene5807-14-7 2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-amine62821-88-9 3-Amino-5-tert-butylpyrazole82560-12-1

Elsewhere

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