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1351654-50-6 | 1-Benzylazepane-4-carbaldehyde hydrochloride
CAS No: 1351654-50-6 Catalog No: AG01AQDZ MDL No:MFCD16653267
Product Description
Catalog Number:
AG01AQDZ
Chemical Name:
1-Benzylazepane-4-carbaldehyde hydrochloride
CAS Number:
1351654-50-6
Molecular Formula:
C14H20ClNO
Molecular Weight:
253.7677
MDL Number:
MFCD16653267
IUPAC Name:
1-benzylazepane-4-carbaldehyde;hydrochloride
InChI:
InChI=1S/C14H19NO.ClH/c16-12-14-7-4-9-15(10-8-14)11-13-5-2-1-3-6-13;/h1-3,5-6,12,14H,4,7-11H2;1H
InChI Key:
SWQBGPGXQMGICL-UHFFFAOYSA-N
SMILES:
O=CC1CCCN(CC1)Cc1ccccc1.Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.77g/mol
Monoisotopic Mass:
253.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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