AG0011QB

1363382-11-9 | Carbamic acid, N-[3-(hydroxymethyl)-3-oxetanyl]-, 1,1-dimethylethyl ester

AG0011QB

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CAS Number	1363382-11-9
Catalog Number	AG0011QB(AGN-PC-0WA7JM)
Chemical Name	Carbamic acid, N-[3-(hydroxymethyl)-3-oxetanyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[3-(hydroxymethyl)oxetan-3-yl]carbamate
InChI	InChI=1S/C9H17NO4/c1-8(2,3)14-7(12)10-9(4-11)5-13-6-9/h11H,4-6H2,1-3H3,(H,10,12)
InChI Key	IVFJORRHEURGIF-UHFFFAOYSA-N
MDL Number	MFCD22415250
Molecular Formula	C9H17NO4
Molecular Weight	203.2356
SMILES	N(C(=O)OC(C)(C)C)C1(CO)COC1
Synonyms	1363382-11-9, 3-(BOC-AMINO)OXETANE-3-METHANOL, tert-Butyl (3-(hydroxymethyl)oxetan-3-yl)carbamate, tert-butyl N-[3-(hydroxymethyl)oxetan-3-yl]carbamate, SCHEMBL6823332, KS-000007BD, MFCD22415250, ZINC95628874, AKOS024438511, FCH1641819, PB14017, AK172413, AS-32750, OR317049, CS-0047962, Q-3508, Carbamic acid, N-[3-(hydroxymethyl)-3-oxetanyl]-, 1,1-dimethylethyl ester, na,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.238g/mol
Monoisotopic Mass	203.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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