2-Phenylazepane hydrochloride

CAT: 0926-DAA46683-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-DAA46683-01Size:0.5 g

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CAS Number

3466-83-9

MDL Number

MFCD12197152

Smiles

C1CCC (NCC1) C2=CC=CC=C2.Cl

Molecular Formula

C12H18ClN

Molecular Weight

211.73 g/mol

Controlled

Chemical Information

2-Phenylazepane hydrochloride

CAS Number	3466-83-9
PubChem CID	45791530
IUPAC Name	2-phenylazepane;hydrochloride
Molecular Formula	C12H18ClN
Molecular Weight	211.73
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	138

SMILES

C1CCC(NCC1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C12H17N.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-13-12;/h1,3-4,7-8,12-13H,2,5-6,9-10H2;1H

InChIKey

PYVRWTLUFFWPQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3466-83-9

CID: 45791530

Formula: C12H18ClN

MW: 211.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.73
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	211.1127773
Monoisotopic Mass	211.1127773
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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