Home Carboxys rac-(1R,4S,5S)-5-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride, endo

rac-(1R,4S,5S)-5-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride, endo

CAS No.:
1989638-29-0
Catalog Number:
AG01B6ZO
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
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Product Description
Catalog Number:
AG01B6ZO
Chemical Name:
rac-(1R,4S,5S)-5-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride, endo
CAS Number:
1989638-29-0
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
MDL Number:
MFCD30344842
IUPAC Name:
(1S,4R,5R)-5-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c1-4-5-2-7(4,6(9)10)8-3-5;/h4-5,8H,2-3H2,1H3,(H,9,10);1H/t4-,5+,7+;/m1./s1
InChI Key:
KGMCAYXEPHCFKU-QXRFUWKISA-N
SMILES:
C[C@@H]1[C@H]2C[C@@]1(NC2)C(=O)O.Cl
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties