2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-

C6H12ClNOCAS 168960-19-8149.62 g/mol

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HClH2NOH
AlcoholAlkenePrimary amine

Properties

Molecular formula
C6H12ClNO
Molar mass
149.62 g/mol
Exact mass
149.0607 Da
logP
0.30Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
168960-19-8
SMILES
Cl.N[C@H]1C=C[C@@H](CO)C1
InChIKey
DFJSXBUVSKWALM-IBTYICNHSA-N
InChI
InChI=1S/C6H11NO.ClH/c7-6-2-1-5(3-6)4-8;/h1-2,5-6,8H,3-4,7H2;1H/t5-,6+;/m1./s1

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Names and synonyms

2 names
  • 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride, (1S-cis)-
  • 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride, (1S,4R)-

Work with 2-Cyclopentene-1-methanol, 4-amino-, hydrochloride (1:1), (1S,4R)-

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(1S,4R)-4-Amino-2-cyclopentene-1-methanol136522-35-5Free base 2-Cyclopentene-1-methanol, 4-amino-, (1S,4R)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1) (salt)229177-52-0Salt

Similar compounds

(S)-2-Amino-but-3-en-1-ol hydrochloride219803-57-347 % similar 2-Amino-1,3-propanediol hydrochloride73708-65-341 % similar Bicyclo[2.2.1]hept-5-ene-2-methanol95-12-534 % similar (2S,3S)-2-Amino-3-methylpentan-1-ol hydrochloride133736-94-434 % similar (1R,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid134003-04-634 % similar L-Serinamide hydrochloride65414-74-631 % similar 3-Aminocyclobutanol hydrochloride1036260-25-930 % similar Galactosamine hydrochloride1772-03-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylpiperidin-4-one hydrochloride13729-77-6 Chloro-N,N-diethylacetamide2315-36-8 4-(2-Chloroethyl)morpholine3240-94-6 3-Methylpiperidin-4-one hydrochloride4629-78-1 Azepan-4-one hydrochloride50492-22-3 4-Aminocyclohexanone hydrochloride675112-40-0 3-Oxa-8-azabicyclo(3.2.1)octane hydrochloride904316-92-3

Elsewhere

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