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1422051-73-7 | Pentanoic acid, 3-amino-4,4-dimethyl-, methyl ester, hydrochloride (1:1), (3R)-
CAS No: 1422051-73-7 Catalog No: AG001HYN MDL No:MFCD12068631
Product Description
Catalog Number:
AG001HYN
Chemical Name:
Pentanoic acid, 3-amino-4,4-dimethyl-, methyl ester, hydrochloride (1:1), (3R)-
CAS Number:
1422051-73-7
Molecular Formula:
C8H18ClNO2
Molecular Weight:
195.6870
MDL Number:
MFCD12068631
IUPAC Name:
methyl (3R)-3-amino-4,4-dimethylpentanoate;hydrochloride
InChI:
InChI=1S/C8H17NO2.ClH/c1-8(2,3)6(9)5-7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1
InChI Key:
VWWAVWOVOOLSTC-FYZOBXCZSA-N
SMILES:
COC(=O)C[C@H](C(C)(C)C)N.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
195.103g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.687g/mol
Monoisotopic Mass:
195.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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