1H-Imidazole-1-propanamine

C6H11N3CAS 5036-48-6125.17 g/mol

Open in Covalent MOL file
H2NNN
Primary amine

Properties

Molecular formula
C6H11N3
Molar mass
125.17 g/mol
Exact mass
125.0953 Da
Boiling point
98–100 °C (at 0.2 Torr)
logP
0.23Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 223 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number
5036-48-6
SMILES
NCCCn1ccnc1
InChIKey
KDHWOCLBMVSZPG-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2

Weigh it out

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

Names and synonyms

18 names · show all
  • Imidazole, 1-(3-aminopropyl)-
  • 1-(3-Aminopropyl)imidazole
  • 3-(1-Imidazolyl)propylamine
  • N-(3-Aminopropyl)imidazole
  • 3-(1H-Imidazol-1-yl)propylamine
  • PC CAT API
  • 3-(1H-1-Imidazolyl)-1-propanamine
  • 1-(3-Aminopropyl)-1H-imidazole
  • 3-(Imidazol-1-yl)propylamine
  • Lupragen API
  • 1-(3′-Aminopropyl)imidazole
  • N-[3-(1H-Imidazol-1-yl)propyl]amine
  • 3-(1H-Imidazol-1-yl)-1-propylamine
  • 3-Aminopropylimidazole
  • 3-(1H-Imidazol-1-yl)propan-1-amine
  • 3-(1H-Imidazol-1-yl)propanamine
  • 1-(3-Aminopropanyl)imidazole
  • 3-Imidazol-1-ylpropan-1-amine

Work with 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

Butylimidazole4316-42-159 % similar Imidazole-1-ethanol1615-14-152 % similar 1-Propylimidazole35203-44-252 % similar 1-(2-Phenylethyl)-1H-imidazole49823-14-545 % similar 1-Ethylimidazole7098-07-945 % similar 3-Imidazol-1-yl-propionic acid18999-45-643 % similar 1-(2-Imidazol-1-yl-ethyl)-piperazine381721-55-743 % similar 1,4-Bis(imidazole-L-ylmethyl)benzene56643-83-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Isopropyl-1H-pyrazol-3-amine151521-49-2 1,3,5-Trimethyl-1H-pyrazol-4-amine28466-21-9 (1,5-Dimethyl-1H-pyrazol-3-yl)methanamine423768-52-9 (1,3-Dimethyl-1H-pyrazol-5-yl)methylamine499770-63-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook