AG008YCJ

1075260-66-0 | S-3-(BOC-AMINOMETHYL)-PYRROLIDINE-HCl

AG008YCJ

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CAS Number	1075260-66-0
Catalog Number	AG008YCJ(AGN-PC-0WAF0P)
Chemical Name	S-3-(BOC-AMINOMETHYL)-PYRROLIDINE-HCl
IUPAC Name	tert-butyl N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate;hydrochloride
InChI	InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8;/h8,11H,4-7H2,1-3H3,(H,12,13);1H/t8-;/m0./s1
InChI Key	WEUDEPABMRKFFT-QRPNPIFTSA-N
MDL Number	MFCD11101394
Molecular Formula	C10H21ClN2O2
Molecular Weight	236.7389
SMILES	O=C(OC(C)(C)C)NC[C@@H]1CNCC1.[H]Cl
Synonyms	1075260-66-0, (S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate hydrochloride, S-3-(BOC-AMINOMETHYL)-PYRROLIDINE-HCl, (S)-3-N-BOC-AMINOMETHYL PYRROLIDINE HCL, tert-butyl N-{[(3S)-pyrrolidin-3-yl]methyl}carbamate hydrochloride, (S)-3-N-Boc-aminomethylpyrrolidine hydrochloride, Carbamic acid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester, (S)- (9CI), DTXSID00660820, ZX-CM014552, MFCD11101394, AKOS015898075, SB10244, KS-0000034A, AK-75937, AS-38251, BC688119, AB0043967, AX8220544, ST2401697, CS-0047921, X8844, (S)-3-N-Boc-aminomethyl pyrrolidine hydrochloride, I11-0236, (S);-tert-Butyl (pyrrolidin-3-ylmethyl);carbamate hydrochloride, 2-Methyl-2-propanyl [(3S)-3-pyrrolidinylmethyl]carbamate hydrochloride, tert-Butyl {[(3S)-pyrrolidin-3-yl]methyl}carbamate--hydrogen chloride (1/1), C10H21ClN2O2, B-1890, (S)-tert-Butyl(pyrrolidin-3-ylmethyl)carbamatehydrochloride, 173340-26-6, tert-butyl N-[(3R)-pyrrolidin-3-ylmethyl]carbamate hydrochloride, 1217858-20-2,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	236.129g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	236.74g/mol
Monoisotopic Mass	236.129g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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