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113407-64-0 | Butanoic acid, 4-(phenylamino)-, hydrochloride (1:1)
CAS No: 113407-64-0 Catalog No: AG0008HE MDL No:MFCD11858085
Product Description
Catalog Number:
AG0008HE
Chemical Name:
Butanoic acid, 4-(phenylamino)-, hydrochloride (1:1)
CAS Number:
113407-64-0
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD11858085
IUPAC Name:
4-anilinobutanoic acid;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c12-10(13)7-4-8-11-9-5-2-1-3-6-9;/h1-3,5-6,11H,4,7-8H2,(H,12,13);1H
InChI Key:
SEZYDRIJSHGZNV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNc1ccccc1.Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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