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1264243-44-8 | Carbamic acid, N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1264243-44-8 Catalog No: AG000SSE MDL No:MFCD11042661
Product Description
Catalog Number:
AG000SSE
Chemical Name:
Carbamic acid, N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1264243-44-8
Molecular Formula:
C10H21ClN2O3
Molecular Weight:
252.7383
MDL Number:
MFCD11042661
IUPAC Name:
[(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
InChI:
InChI=1S/C6H12N2O3/c9-3-5-1-4(2-7-5)8-6(10)11/h4-5,7-9H,1-3H2,(H,10,11)/t4-,5+/m1/s1
InChI Key:
HALMHLQVTZLDDJ-UHNVWZDZSA-N
SMILES:
OC[C@H]1NC[C@@H](C1)NC(=O)OC(C)(C)C.Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
160.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
160.173g/mol
Monoisotopic Mass:
160.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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