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6976-17-6 | 4-(Methylamino)-Butanoic Acid Hydrochloride
CAS No: 6976-17-6 Catalog No: AG0033TN MDL No:MFCD00012612
Product Description
Catalog Number:
AG0033TN
Chemical Name:
4-(Methylamino)-Butanoic Acid Hydrochloride
CAS Number:
6976-17-6
Molecular Formula:
C5H12ClNO2
Molecular Weight:
153.6073
MDL Number:
MFCD00012612
IUPAC Name:
4-(methylamino)butanoic acid;hydrochloride
InChI:
InChI=1S/C5H11NO2.ClH/c1-6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1H
InChI Key:
JMLHQRQZCMCQNJ-UHFFFAOYSA-N
SMILES:
CNCCCC(=O)O.Cl
NSC Number:
24931
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
153.606g/mol
Monoisotopic Mass:
153.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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