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101259-00-1 | Butanoic acid, 2-(aminomethyl)-3-methyl-, ethyl ester, hydrochloride (1:1)
CAS No: 101259-00-1 Catalog No: AG000430 MDL No:
Product Description
Catalog Number:
AG000430
Chemical Name:
Butanoic acid, 2-(aminomethyl)-3-methyl-, ethyl ester, hydrochloride (1:1)
CAS Number:
101259-00-1
Molecular Formula:
C8H18ClNO2
Molecular Weight:
195.6870
IUPAC Name:
ethyl 2-(aminomethyl)-3-methylbutanoate;hydrochloride
InChI:
InChI=1S/C8H17NO2.ClH/c1-4-11-8(10)7(5-9)6(2)3;/h6-7H,4-5,9H2,1-3H3;1H
InChI Key:
ALVHBBKMWUWIFK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C)C)CN.Cl
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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