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1135916-78-7 | Benzeneacetic acid, α-amino-2,5-dimethyl-, hydrochloride (1:1)
CAS No: 1135916-78-7 Catalog No: AG00092C MDL No:MFCD06410553
Product Description
Catalog Number:
AG00092C
Chemical Name:
Benzeneacetic acid, α-amino-2,5-dimethyl-, hydrochloride (1:1)
CAS Number:
1135916-78-7
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD06410553
IUPAC Name:
2-amino-2-(2,5-dimethylphenyl)acetic acid;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-6-3-4-7(2)8(5-6)9(11)10(12)13;/h3-5,9H,11H2,1-2H3,(H,12,13);1H
InChI Key:
KLPVDKNMMUWTDY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(C(=O)O)N)C.Cl
Properties
Complexity:
193
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:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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