AG0022K2

1810070-09-7 | Benzyl (trans-4-hydroxypyrrolidin-3-yl)carbamate

AG0022K2

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CAS Number	1810070-09-7
Catalog Number	AG0022K2(AGN-PC-0WCXE2)
Chemical Name	Benzyl (trans-4-hydroxypyrrolidin-3-yl)carbamate
IUPAC Name	benzyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate
InChI	InChI=1S/C12H16N2O3/c15-11-7-13-6-10(11)14-12(16)17-8-9-4-2-1-3-5-9/h1-5,10-11,13,15H,6-8H2,(H,14,16)/t10-,11-/m1/s1
InChI Key	XFRZHUKQUUVRFG-GHMZBOCLSA-N
MDL Number	MFCD28166331
Molecular Formula	C12H16N2O3
Molecular Weight	236.2670
SMILES	O=C(N[C@@H]1CNC[C@H]1O)OCc1ccccc1
Synonyms	Carbamic acid, trans-N-4-hydroxy-3-pyrrolidinyl]-, phenylmethyl ester, 215940-69-5, benzyl (3r,4r)-4-hydroxypyrrolidin-3-ylcarbamate, 1810070-09-7, trans-3-(cbz-amino)-4-hydroxypyrrolidine, SCHEMBL12225513, XFRZHUKQUUVRFG-GHMZBOCLSA-N, 952443-94-6, MFCD28166331, ZINC95845457, AKOS030211025, SB21881, SB21882, AS-52233, trans-Benzyl (4-hydroxypyrrolidin-3-yl)carbamate, BENZYL N-[(3R,4R)-4-HYDROXYPYRROLIDIN-3-YL]CARBAMATE, trans-N-(4-Hydroxy-3-pyrrolidinyl)-carbamic acid phenylmethyl ester,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	236.116g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	236.271g/mol
Monoisotopic Mass	236.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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