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125033-59-2 | Carbamic acid, [(3-hydroxy-3-pyrrolidinyl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 125033-59-2 Catalog No: AG000N0F MDL No:MFCD22415241
Product Description
Catalog Number:
AG000N0F
Chemical Name:
Carbamic acid, [(3-hydroxy-3-pyrrolidinyl)methyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
125033-59-2
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD22415241
IUPAC Name:
tert-butyl N-[(3-hydroxypyrrolidin-3-yl)methyl]carbamate
InChI:
InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-7-10(14)4-5-11-6-10/h11,14H,4-7H2,1-3H3,(H,12,13)
InChI Key:
CDXOWYHAHPHSRG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(O)CNCC1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
216.281g/mol
Monoisotopic Mass:
216.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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