AG006M9U

663948-85-4 | (2s,4s)-2-hydroxymethyl-4-boc-aminopyrrolidine hydrochloride

AG006M9U

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CAS Number	663948-85-4
Catalog Number	AG006M9U(AGN-PC-0TKLRX)
Chemical Name	(2s,4s)-2-hydroxymethyl-4-boc-aminopyrrolidine hydrochloride
IUPAC Name	tert-butyl N-[(3S,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate
InChI	InChI=1S/C10H20N2O3/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)/t7-,8-/m0/s1
InChI Key	DWYPGXBZFDWCPC-YUMQZZPRSA-N
MDL Number	MFCD08704519
Molecular Formula	C10H20N2O3
Molecular Weight	216.2774
SMILES	OC[C@@H]1C[C@@H](CN1)NC(OC(C)(C)C)=O
Synonyms	663948-85-4, [(3S,5S)-5-(Hydroxymethyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester, tert-butyl N-[(3S,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate, tert-butyl (3S,5S)-5-(hydroxymethyl)pyrrolidin-3-ylcarbamate, 1217976-24-3, tert-butyl ((3S,5S)-5-(hydroxymethyl)pyrrolidin-3-yl)carbamate, (3S,5S)-5-(Hydroxymethyl)-3-pyrrolidinyl]-carbamic acid tert-butyl ester, tert-Butyl [(3S,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate, SCHEMBL2738149, DTXSID30660999, MFCD08704519, ZINC39952058, AKOS015915423, ACN-031300, SB13044, Carbamic acid, [(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl, AN-27704, AS-50587, SC-28623, AB1006695, AJ-101101, DB-073749, CS-0047990, FT-0084086, FT-0652167, A26648, B-1639, 948H854, (3S,5S)-2-Hydroxymethyl-4-(Boc-amino)pyrrolidine, I14-5447, tert-butyl (3S,5S)-5-(hydroxymethyl)pyrrolidin-3-y, Carbamicacid,N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-,1,1-dimethylethylester, DWYPGXBZFDWCPC-YUMQZZPRSA-N, pyridine-2-boronic acid n-phenyldiethanolamine ester, Carbamicacid,[ -5- -3-pyrrolidinyl]-,1,1-dimethylethyl,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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