AG001XPR

167938-56-9 | Carbamic acid, N-[(2S)-2-hydroxypropyl]-, 1,1-dimethylethyl ester

AG001XPR

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CAS Number	167938-56-9
Catalog Number	AG001XPR(AGN-PC-0O4RER)
Chemical Name	Carbamic acid, N-[(2S)-2-hydroxypropyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(2S)-2-hydroxypropyl]carbamate
InChI	InChI=1S/C8H17NO3/c1-6(10)5-9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
InChI Key	YNJCFDAODGKHAV-LURJTMIESA-N
MDL Number	MFCD04974340
Molecular Formula	C8H17NO3
Molecular Weight	175.2255
SMILES	O=C(OC(C)(C)C)NC[C@@H](O)C
Synonyms	167938-56-9, N-Boc-(S)-1-amino-2-propanol, (S)-tert-Butyl (2-hydroxypropyl)carbamate, boc-(s)-1-amino-2-propanol, (S)-1-(Boc-amino)-2-propanol, MFCD04974340, (S)-1-(Boc-Amino)-2-Propanol, 97%, tert-Butyl (S)-(2-hydroxypropyl)carbamate, SCHEMBL347096, CTK4D2814, DTXSID80472786, YNJCFDAODGKHAV-LURJTMIESA-N, ZINC2541629, ANW-22320, AKOS006280523, FS-3906, (S)-tert-butyl 2-hydroxypropylcarbamate, AJ-39205, tert-butyl[(2S)-2-hydroxypropyl]carbamate, AB0084346, TC-111065, FT-0695315, tert-butyl [(2S)-2-hydroxypropyl]carbamate, V3705, K-5198, (S)-(2-hydroxy-propyl)-carbamic acid t-butyl ester, [(S)-2-Hydroxypropyl]carbamic acid tert-butyl ester, J-010412, I14-38678, ((S)-2-hydroxy-propyl)-carbamic acid tert-butyl ester, Carbamic acid, [(2S)-2-hydroxypropyl]-, 1,1-dimethylethyl ester, Carbamic acid, N-[(2S)-2-hydroxypropyl]-, 1,1-dimethylethyl ester, Carbamic acid,N-[(2S)-2-hydroxypropyl]-, 1,1-dimethylethyl ester, Carbamic acid,N-[(2S)-2-hydroxypropyl]-,1,1-dimethylethyl ester, C8H17NO3, CID11789722, Tert-butyl N-(2-hydroxypropyl)carbamate, Carbamic acid, [(2S)-2-hydroxypropyl]-, 1,1-dimethylethyl ester (9CI),

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	175.121g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	175.228g/mol
Monoisotopic Mass	175.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

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