3,4-Dihydro-3-amino-2H-1-benzopyran

HCID 205709

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Basic information

CAS: 60575-19-1
Standard SMILES: NC1COc2ccccc2C1
InChIKey: SVWDNDQOXZHBRM-UHFFFAOYSA-N
Molecular formula: C9H11NO
Average molar mass: 149.19 g/mol
Monoisotopic mass: 149.08406397

Overview

structure given in first source

Names & identifiers

Preferred name: 3,4-Dihydro-3-amino-2H-1-benzopyran
IUPAC: 3,4-dihydro-2H-chromen-3-amine
English name: Chroman-3-ylamine
Molecular formula: C9H11NO
Molecular weight: 149.19

Names & synonyms

60575-19-1DHABP3,4-Dihydro-3-amino-2H-1-benzopyranRefChem:91094Chroman-3-amineCHROMAN-3-YLAMINE3,4-dihydro-2H-chromen-3-amine3-aminochroman3,4-dihydro-2H-1-benzopyran-3-amineMFCD041145132H-1-Benzopyran-3-amine, 3,4-dihydro-3,4-DIHYDRO-2H-CHROMEN-3-YLAMINE

Show more names

2H-1-BENZOPYRAN-3-AMINE,3,4-DIHYDRO-

3-aminochromane3-chromanamine59108-54-23,4-dihydro-3-amino-2H-benzopyran3,4-Dihydro-1H-1-benzopyran-3-amineSCHEMBL447509SCHEMBL7587627(3S)-CHROMAN-3-AMINE

Database identifiers

CAS: 60575-19-1
PubChem CID: 205709
DTXSID: DTXSID20976011

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 256.8 · 256.8±29.0 °C(Predicted)
Density: 1.106 · 1.106±0.06 g/cm3(Predicted)
pka: 7.49 · 7.49±0.20(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H315-H318-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501