Home Aminos 4-Pentynoic acid, 2-amino-, methyl ester, hydrochloride (1:1)

4-Pentynoic acid, 2-amino-, methyl ester, hydrochloride (1:1)

CAS No.:
178389-41-8
Catalog Number:
AG0025ZB
Molecular Formula:
C6H10ClNO2
Molecular Weight:
163.6021
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Product Description
Catalog Number:
AG0025ZB
Chemical Name:
4-Pentynoic acid, 2-amino-, methyl ester, hydrochloride (1:1)
CAS Number:
178389-41-8
Molecular Formula:
C6H10ClNO2
Molecular Weight:
163.6021
MDL Number:
MFCD11975673
IUPAC Name:
methyl 2-aminopent-4-ynoate;hydrochloride
InChI:
InChI=1S/C6H9NO2.ClH/c1-3-4-5(7)6(8)9-2;/h1,5H,4,7H2,2H3;1H
InChI Key:
YTSKPYFAKGFHRE-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC#C)N.Cl
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.601g/mol
Monoisotopic Mass:
163.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties