AG001VN3

161511-85-9 | 1-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S)-

AG001VN3

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CAS Number	161511-85-9
Catalog Number	AG001VN3(AGN-PC-0Q83OT)
Chemical Name	1-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S)-
IUPAC Name	tert-butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate
InChI	InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m0/s1
InChI Key	XIRUXUKRGUFEKC-ZETCQYMHSA-N
MDL Number	MFCD03093620
Molecular Formula	C9H17NO3
Molecular Weight	187.2362
SMILES	OC[C@H]1N(C(OC(C)(C)C)=O)CC1
Synonyms	(S)-1-Boc-2-azetidinemethanol, 161511-85-9, (S)-1-(tert-Butoxycarbonyl)-2-azetidinemethanol, (S)-tert-butyl 2-(hydroxymethyl)azetidine-1-carboxylate, tert-butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate, (S)-1-BOC-2-HYDROXYMETHYLAZETIDINE, AK-33535, (s)-1-(tert-butoxycarbon, SCHEMBL71903, CTK4D0864, 1-BOC-2-(S)-azetidinemethanol, DTXSID40441019, 1-BOC-2-(S)-azetidinylmethanol, XIRUXUKRGUFEKC-ZETCQYMHSA-N, BH273, HT143, KS-000003LX, ZINC2511728, ANW-21937, FC0246, MFCD03093620, AKOS015838371, CB-2151, CS-W008447, DS-1771, FCH3637899, PB20800, RP09463, RTR-006882, AJ-36579, CJ-08618, OR317181, SC-08963, (S)-1-t-butoxycarbonyl-2-azetidinemethanol, 1-t-butoxycarbonyl-2-(S)-azetidinemethanol, AB0022604, AX8048395, DB-003145, ST1010003, TR-006882, A3578, AM20080442, FT-0687475, W3505, 1-t-butyloxycarbonyl-2-(S)-azetidinemethanol, (2S)-1-t-butyloxycarbonyl-2-azetidinemethanol, C-8039, N-t-Butoxycarbonyl-2(S)-hydroxymethylazetidine, (s)-1-(tert-butoxycarbonyl)-2-azetidinemethaol, (S)-1-(tert-butoxycarbonyl)azetidine-2-methanol, (S)-N-tert-butoxycarbonyl-azetidin-2-ylmethanol, (S)-N-tert-Butyloxycarbonyl-2-azetidinylmethanol, 1-(tert-butoxycarbonyl)-2(S)-azetidinylmethanol, (2S)-1-(tert-Butoxycarbonyl)azetidine-2-methanol, I14-8325, (S)-N-TERT-BUTOXYCARBONYL-2-AZETIDINYLMETHANOL, tert-butyl (S)-2-(hydroxymethyl)azetidine-1-carboxylate, (S)-N-TERT-BUTOXYCARBONYL-2-HYDROXYMETHYLAZETIDINE, R,S-1-[(1,1-Dimethylethoxy)carbonyl]azetidine-2-methanol, (S)-2-Hydroxymethyl-azetidine-1-carboxylic acid tert-butylester, (2S)-2-(hydroxymethyl)-1-azetidinecarboxylic acid tert-butyl ester, 2-(S)-Hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester, (S)-2-HYDROXYMETHYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 161511-85-9 (S)-tert-butyl 2-(hydroxymethyl)azetidine-1-carboxylate, tert-Butyl (2S)-2-(hydroxymethyl)-1-azetidinecarboxylate, AldrichCPR, 1-AZETIDINECARBOXYLIC ACID, 2-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTER, (2S)-, 1-Azetidinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2S)-, C9H17NO3, CID10511797, B2123, Tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate, 174346-82-8,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	187.121g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.239g/mol
Monoisotopic Mass	187.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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