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1279025-72-7 | Carbamic acid, N-[(3R,5R)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1279025-72-7 Catalog No: AG000XJ7 MDL No:
Product Description
Catalog Number:
AG000XJ7
Chemical Name:
Carbamic acid, N-[(3R,5R)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1279025-72-7
Molecular Formula:
C10H21ClN2O3
Molecular Weight:
252.7383
IUPAC Name:
tert-butyl N-[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate;hydrochloride
InChI:
InChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(14)12-7-4-8(6-13)11-5-7;/h7-8,11,13H,4-6H2,1-3H3,(H,12,14);1H/t7-,8-;/m1./s1
InChI Key:
YNASECDCFXDYHN-SCLLHFNJSA-N
SMILES:
OC[C@@H]1NC[C@@H](C1)NC(=O)OC(C)(C)C.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
252.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
252.739g/mol
Monoisotopic Mass:
252.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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