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1-(3,4-dihydro-1H-2-benzopyran-1-yl)methanamine hydrochloride

1-(3,4-dihydro-1H-2-benzopyran-1-yl)methanamine hydrochloride

CAS: 19158-90-8

Formula: C10H14ClNO

SMILES: Cl.NCC1OCCC2=CC=CC=C12

IUPAC: 1-(3,4-dihydro-1H-2-benzopyran-1-yl)methanamine hydrochloride

InChI: InChI=1/C10H13NO.ClH/c11-7-10-9-4-2-1-3-8(9)5-6-12-10;/h1-4,10H,5-7,11H2;1H

Composition: C (60.15%), H (7.07%), Cl (17.75%), N (7.01%), O (8.01%)

Molar Mass: 199.68

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 199.0763918
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GCESJUUFORTUCK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.55
Topological Polar Surface Area 35.25
Polarizability 19.11
Ring Count 2
Rotatable Bond Count 1

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