3-(Butylamino)propionitrile

C₇H₁₄N₂CAS 693-51-6126.20 g/mol

Open in Covalent MOL file

Nitrile Secondary amine

Properties

Molecular formula: C₇H₁₄N₂
Molar mass: 126.20 g/mol
Exact mass: 126.1157 Da
logP: 1.29Crippen estimate
Polar surface area: 35.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

693-51-6

SMILES

CCCCNCCC#N

InChIKey

FPGVMJDQNJEAJM-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2/c1-2-3-6-9-7-4-5-8/h9H,2-4,6-7H2,1H3

Weigh it out

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

Work with 3-(Butylamino)propionitrile

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

3-(Octylamino)propanenitrile29504-89-084 % similar Idpn (chemical)111-94-464 % similar Dibutylamine111-92-259 % similar Pentanenitrile110-59-858 % similar Hexanenitrile628-73-956 % similar Octanenitrile124-12-954 % similar Decanenitrile1975-78-654 % similar Nonanenitrile2243-27-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-1H-hexahydropyrrolo[3,4-B]pyrrole132414-59-6 1-Allylpiperazine13961-36-9 (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-40-0 (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-42-2 1-Cyclopropylpiperazine20327-23-5 3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-7 1,4-Diazobicylco[3.2.2]nonane283-38-5 N-Amino-3-azabicyclo[3.3.0]octane54528-00-6

Elsewhere

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