chempirical

2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine

C9H12N2CAS 5946-39-4148.21 g/mol

Open in Covalent MOL file
NHNH
Secondary amine

Properties

Molecular formula
C9H12N2
Molar mass
148.21 g/mol
Exact mass
148.1000 Da
logP
1.20Crippen estimate
Polar surface area
24.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

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
5946-39-4
SMILES
C1CNC2=CC=CC=C2CN1
InChIKey
MLXBHOCKBUILHN-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2/c1-2-4-9-8(3-1)7-10-5-6-11-9/h1-4,10-11H,5-7H2

Weigh it out

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

Names and synonyms

1 names
  • 2,3,4,5-Tetrahydro-1H-benzo[E][1,4]diazepine

Work with 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepine

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

Indoline496-15-158 % similar 1,2,3,4-Tetrahydroquinoxaline3476-89-957 % similar Tetrahydroquinoline635-46-156 % similar 2,3,4,5-Tetrahydro-1H-benzo[B]azepine1701-57-154 % similar Tetrahydroisoquinoline91-21-452 % similar Isoindoline496-12-850 % similar 1,2,3,4-Tetrahydroisoquinoline hydrochloride14099-81-147 % similar Benzathine140-28-344 % similar

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

Same formula

6''-Amino-1,2,3,4-tetrahydroquinoline103796-41-4 4-(Pyrrolidin-2-yl)pyridine128562-25-4 1,2,3,4-Tetrahydroquinolin-7-amine153856-89-4 4-Pyrrolidinylpyridine2456-81-7 1-Amino-2-methylindoline31529-46-1 (±)-Nornicotine5746-86-1 2-(2-Pyrrolidinyl)pyridine77790-61-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook