AG003CEP

103322-56-1 | (S)-()-2-(Boc-amino)-3-cyclohexyl-1-propanol

AG003CEP

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CAS Number	103322-56-1
Catalog Number	AG003CEP(AGN-PC-0OSBXE)
Chemical Name	(S)-()-2-(Boc-amino)-3-cyclohexyl-1-propanol
IUPAC Name	tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamate
InChI	InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h11-12,16H,4-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChI Key	BOJQBBXPSVGTQT-LBPRGKRZSA-N
MDL Number	MFCD00076899
Molecular Formula	C14H27NO3
Molecular Weight	257.3691
SMILES	OC[C@H](CC1CCCCC1)NC(OC(C)(C)C)=O
Synonyms	103322-56-1, Boc-Beta-Cyclohexyl-L-Alaninol, (s)-(-)-2-N-Bco-3-cyclohexyl-1-propanol, (S)-(-)-2-(Boc-amino)-3-cyclohexyl-1-propanol, Boc-3-Cyclohexyl-L-alaninol, (S)-tert-butyl 1-cyclohexyl-3-hydroxypropan-2-ylcarbamate, (S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol, (S)-N-Boc-2-amino-3-cyclohexylpropanol, AC1Q1MUB, Boc-b-cyclohexyl-l-alaninol, SCHEMBL57254, CTK4A1995, DTXSID10453124, BOJQBBXPSVGTQT-LBPRGKRZSA-N, Carbamicacid, N-[(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]-, 1,1-dimethylethyl ester, ZINC2554976, 6289AH, MFCD00076899, AKOS022177886, AC-5483, AJ-39652, AN-10966, BC650928, RT-024018, FT-0649881, K-0360, J-000937, (S)-(-)-2-(Boc-amino)-3-cyclohexyl-1-propanol 90%, (2S)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol, (S)-(-)-2-(Boc-amino)-3-cyclohexyl-1-propanol, 90%, tert-butyl (S)-3-cyclohexyl-1-hydroxypropan-2-ylcarbamate, (S)-tert-butyl (1-cyclohexyl-3-hydroxypropan-2-yl)carbamate, tert-Butyl [(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamate, tert-butyl-[(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]carbamate, tert-butyl[(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]carbamate, tert-butyl N-[(1S)-1-(cyclohexylmethyl)-2-hydroxy-ethyl]carbamate, tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]carbamate, [(S)-1-(Cyclohexylmethyl)-2-hydroxyethyl]carbamic acid tert-butyl ester, 1,1-dimethylethyl [(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]carbamate, Carbamicacid,N-[(1S)-2-cyclohexyl-1-(hydroxymethyl)ethyl]-,1,1-dimethylethyl ester, C14H27NO3, CID11043405, (S)-(-)-2-N-BOC-3-Cyclohexyl-1-propanol, Tert-butyl N-(1-cyclohexyl-3-hydroxy-propan-2-yl)carbamate, (S)-(-)-2-(t-Butoxycarbonylamino)-3-cyclohexyl-1-propanol,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	257.199g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.374g/mol
Monoisotopic Mass	257.199g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3272

Certificate of Analysis

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