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16217-22-4 | β-Alanine, N-(1-methylethyl)-, ethyl ester
CAS No: 16217-22-4 Catalog No: AG001SUO MDL No:MFCD01475850
Product Description
Catalog Number:
AG001SUO
Chemical Name:
β-Alanine, N-(1-methylethyl)-, ethyl ester
CAS Number:
16217-22-4
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
MDL Number:
MFCD01475850
IUPAC Name:
ethyl 3-(propan-2-ylamino)propanoate
InChI:
InChI=1S/C8H17NO2/c1-4-11-8(10)5-6-9-7(2)3/h7,9H,4-6H2,1-3H3
InChI Key:
BGEHOKVPALSAIX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCNC(C)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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