Home Aminos Heptanoicacid,3-methoxy-5-methyl-4-(methylamino)-,1,1-dimethylethylester,hydrochloride,[3S-(3R*,4R*,5R*)]-(9CI)

Heptanoicacid,3-methoxy-5-methyl-4-(methylamino)-,1,1-dimethylethylester,hydrochloride,[3S-(3R*,4R*,5R*)]-(9CI)

CAS No.:
154633-74-6
Catalog Number:
AG00IM7C
Molecular Formula:
C14H30ClNO3
Molecular Weight:
295.8459
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Product Description
Catalog Number:
AG00IM7C
Chemical Name:
Heptanoicacid,3-methoxy-5-methyl-4-(methylamino)-,1,1-dimethylethylester,hydrochloride,[3S-(3R*,4R*,5R*)]-(9CI)
CAS Number:
154633-74-6
Molecular Formula:
C14H30ClNO3
Molecular Weight:
295.8459
MDL Number:
MFCD28387338
IUPAC Name:
tert-butyl (3S,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate;hydrochloride
InChI:
InChI=1S/C14H29NO3.ClH/c1-8-10(2)13(15-6)11(17-7)9-12(16)18-14(3,4)5;/h10-11,13,15H,8-9H2,1-7H3;1H/t10-,11-,13-;/m0./s1
InChI Key:
JRXGCIIOQALIMZ-SQRKDXEHSA-N
SMILES:
CO[C@H]([C@H]([C@H](CC)C)NC)CC(=O)OC(C)(C)C.Cl
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
295.191g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.848g/mol
Monoisotopic Mass:
295.191g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties