1H-Pyrrol-1-amine

C₄H₆N₂CAS 765-39-982.11 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₄H₆N₂
Molar mass: 82.11 g/mol
Exact mass: 82.0531 Da
Melting point: 77–78 °C
Boiling point: 174–174.5 °C (at 750 Torr)
logP: 0.20Crippen estimate
Polar surface area: 30.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor92.9% of notifiers
H302 Harmful if swallowed92.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

765-39-9

SMILES

Nn1cccc1

InChIKey

YNZAFFFENDLJQG-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2/c5-6-3-1-2-4-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

5 names

Pyrrole, 1-amino-
1-Aminopyrrole
N-Aminopyrrole
1-Pyrrolylamine
(1H-Pyrrol-1-yl)amine

Work with 1H-Pyrrol-1-amine

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

4-Amino-1,2,4-triazole584-13-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-2-butenenitrile1118-61-2 3-Methylpyrazole1453-58-3 1-Methylimidazole616-47-7 2-Methylimidazole693-98-1 4-Methylpyrazole7554-65-6 4-Methylimidazole822-36-6 1-Methyl-1H-pyrazole930-36-9

Elsewhere

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