AG001TKK

162955-48-8 | Carbamic acid, N-[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester

AG001TKK

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CAS Number	162955-48-8
Catalog Number	AG001TKK(AGN-PC-0Q8CG5)
Chemical Name	Carbamic acid, N-[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(2S)-1,5-dihydroxypentan-2-yl]carbamate
InChI	InChI=1S/C10H21NO4/c1-10(2,3)15-9(14)11-8(7-13)5-4-6-12/h8,12-13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1
InChI Key	UBNNKNSFDFANKW-QMMMGPOBSA-N
MDL Number	MFCD03093945
Molecular Formula	C10H21NO4
Molecular Weight	219.2780
SMILES	O=C(OC(C)(C)C)N[C@@H](CCCO)CO
Synonyms	162955-48-8, (S)-(-)-2-(Boc-amino)-1,5-pentanediol, (S)-(-)-2-(N-Boc-Amino)-1,5-pentanediol, (S)-tert-Butyl (1,5-dihydroxypentan-2-yl)carbamate, (S)-tert-butyl 1,5-dihydroxypentan-2-ylcarbamate, J-502527, 397246-12-7, tert-butyl N-[(2S)-1,5-dihydroxypentan-2-yl]carbamate, AC1MC22T, SCHEMBL2296899, CTK8E2826, UBNNKNSFDFANKW-QMMMGPOBSA-N, ACT06378, ZINC2506797, MFCD03093945, AKOS015894759, CB-4095, CS-W001465, FCH3524519, RP07324, VC30456, AJ-36158, AS-37875, AB0076480, AX8048032, DB-064479, RT-017869, FT-0685025, (S)-(-)-2-N-(Boc-amino)-1,5-pentanediol, K-5089, (S)-2-(tert-Butoxycarbonylamino)pentane-1,5-diol, (S)-(-)-2-(Boc-amino)-1,5-pentanediol, 97%, I05-2727, tert-butyl[(2S)-1,5-dihydroxypentan-2-yl]carbamate, ((S)-4-hydroxy-1-hydroxymethyl-butyl)-carbamic acid tert-butyl ester, (S)-(4-Hydroxy-1-hydroxymethyl-butyl)-carbamic acid tert-butyl ester, Carbamic acid, N-[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester, Carbamic acid,[(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl ester (9CI), ZINC02506797, CID2734851, Carbamic acid, [(1S)-4-hydroxy-1-(hydroxymethyl)butyl]-, 1,1-dimethylethyl,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	219.147g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	219.281g/mol
Monoisotopic Mass	219.147g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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