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CAS 163923-18-0 manufacturers and suppliers on PharmaCompass

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CAS 163923-18-0
Also known as: 163923-18-0, N-benzyl-6-(4-phenylbutoxy)hexan-1-amine;hydrochloride, Starbld0023174, Schembl454214, 6-(4-phenylbutoxy)-n-benzylhexan-1-amine hcl, N-(benzyl-6-(4-phenylbutoxy)-hexane-1-amine hydrochloride
Molecular Formula
C23H34ClNO
Molecular Weight
376.0  g/mol
InChI Key
UIVMHLBJOQNSSR-UHFFFAOYSA-N

1 2D Structure

CAS 163923-18-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-benzyl-6-(4-phenylbutoxy)hexan-1-amine;hydrochloride
2.1.2 InChI
InChI=1S/C23H33NO.ClH/c1(10-18-24-21-23-16-7-4-8-17-23)2-11-19-25-20-12-9-15-22-13-5-3-6-14-22;/h3-8,13-14,16-17,24H,1-2,9-12,15,18-21H2;1H
2.1.3 InChI Key
UIVMHLBJOQNSSR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CCCCOCCCCCCNCC2=CC=CC=C2.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 163923-18-0

2. N-benzyl-6-(4-phenylbutoxy)hexan-1-amine;hydrochloride

3. Starbld0023174

4. Schembl454214

5. 6-(4-phenylbutoxy)-n-benzylhexan-1-amine Hcl

6. N-(benzyl-6-(4-phenylbutoxy)-hexane-1-amine Hydrochloride

2.3 Create Date
2007-07-23
3 Chemical and Physical Properties
Molecular Weight 376.0 g/mol
Molecular Formula C23H34ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass375.2328924 g/mol
Monoisotopic Mass375.2328924 g/mol
Topological Polar Surface Area21.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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