AG000XJV

1279038-32-2 | 1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2S,4R)-

AG000XJV

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CAS Number	1279038-32-2
Catalog Number	AG000XJV(AGN-PC-0WAGAX)
Chemical Name	1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2S,4R)-
IUPAC Name	tert-butyl (2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate;hydrochloride
InChI	InChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(14)12-5-7(11)4-8(12)6-13;/h7-8,13H,4-6,11H2,1-3H3;1H/t7-,8+;/m1./s1
InChI Key	CBLODQXSQDSMHU-WLYNEOFISA-N
MDL Number	MFCD11101172
Molecular Formula	C10H21ClN2O3
Molecular Weight	252.7383
SMILES	OC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)N.Cl
Synonyms	1279038-32-2, (2S,4R)-1-Boc-2-Hydroxymethyl-4-aminopyrrolidine hydrochloride, (2S,4R)-1-BOC-2-hydroxymethyl-4-amino Pyrrolidine-HCl, 1217657-92-5, 1116454-27-3, trans-tert-Butyl 4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate hydrochloride, (2S,4R)-tert-Butyl 4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate hydrochloride, CTK8B8218, (2S,4R)-1-Boc-2-Hydroxymethyl-4-aminopyrrolidinehydrochloride, KS-000000VN, ANW-59685, MFCD11101172, AKOS015847169, AB0000806, AX8209435, ST2402264, TC-148430, FT-0084094, FT-0660167, X8978, B-2026, I14-32174, (2S,4R)-4-Amino-1-boc-2-(hydroxymethyl)pyrrolidine HCl, (2S,4R)-1-BOC-2-hydroxymethyl-4-amino Pyrrolidine hydrochloride, (2S,4R)-1-BOC-2-HYDROXYMETHYL-4-AMINO PYRROLIDINE-HCL, 97%, t-Butyl (2S,4R)-4-amino-2-(hydroxymethyl)-1-pyrrolidinecarboxylate hydrochloride, 1-Pyrrolidinecarboxylic acid, 4-amino-2-(hydroxymethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2S,4R)-, C10H21ClN2O3, CBLODQXSQDSMHU-WLYNEOFISA-N,

Complexity	237
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	3
Isotope Atom Count	0
Molecular Weight	252.739g/mol
Monoisotopic Mass	252.124g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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