(N)Chroman-4-amine hydrochloride

C₉H₁₂ClNOCAS 1035093-81-2185.65 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₉H₁₂ClNO
Molar mass: 185.65 g/mol
Exact mass: 185.0607 Da
logP: 1.89Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1035093-81-2

SMILES

Cl.N[C@H]1CCOc2ccccc21

InChIKey

BVMKYKMJUZEGBU-QRPNPIFTSA-N

InChI

InChI=1S/C9H11NO.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-4,8H,5-6,10H2;1H/t8-;/m0./s1

Weigh it out

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

Names and synonyms

3 names

2H-1-Benzopyran-4-amine, 3,4-dihydro-, hydrochloride (1:1), (4S)-
(4S)-Chroman-4-amine hydrochloride
(4S)-3,4-Dihydro-2H-1-benzopyran-4-amine hydrochloride

Work with (N)Chroman-4-amine hydrochloride

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.

(R)-Chroman-4-amine210488-55-4Free base, enantiomer

Similar compounds

(R)-2,3-Dihydro-1H-inden-1-amine hydrochloride10305-73-451 % similar Chroman-4-ol1481-93-251 % similar 1-Aminoindane hydrochloride70146-15-551 % similar 1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride49800-23-949 % similar (R)-(-)-1-Aminoindan10277-74-443 % similar (+-)-1-Aminoindan34698-41-443 % similar (S)-(+)-1-Aminoindan61341-86-443 % similar 1,2,3,4-Tetrahydro-1-naphthylamine2217-40-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl benzimidate hydrochloride5333-86-8 2-Amino-1-(4-chlorophenyl)propan-1-ol57908-21-1 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine84006-10-0 (S)-3-(4-Chlorophenyl)-beta-alaninol886061-26-3

Elsewhere

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