(6S)-1,4-Diazabicyclo(4.3.0)nonane

C₇H₁₄N₂CAS 93643-24-4126.20 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₄N₂
Molar mass: 126.20 g/mol
Exact mass: 126.1157 Da
logP: 0.05Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed12.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

93643-24-4

SMILES

C1C[C@H]2CNCCN2C1

InChIKey

FTTATHOUSOIFOQ-ZETCQYMHSA-N

InChI

InChI=1S/C7H14N2/c1-2-7-6-8-3-5-9(7)4-1/h7-8H,1-6H2/t7-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(S)-1,4-Diazabicyclo[4.3.0]nonane

Work with (6S)-1,4-Diazabicyclo(4.3.0)nonane

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-Cyclopentylpiperazine21043-40-361 % similar 1-Cyclohexylpiperazine17766-28-858 % similar 1-Cycloheptylpiperazine21043-42-558 % similar 1-Cyclooctylpiperazine21043-43-658 % similar 4-(Pyrrolidin-3-yl)morpholine53617-37-154 % similar 4-(1-Pyrrolidinyl)piperidine5004-07-952 % similar 1,4′-Bipiperidine4897-50-150 % similar 3-(Dimethylamino)piperidine50534-49-146 % 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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