erythro-N-Boc-L-cyclohexylalanine epoxide

HCID 9816868CAS 107202-62-0

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Basic information

Standard SMILES: CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H]1CO1
InChIKey: JRMDRWOEBLIOTE-QWHCGFSZSA-N
Molecular formula: C15H27NO3
Average molar mass: 269.38 g/mol
Monoisotopic mass: 269.19909372

Names & identifiers

Preferred name: erythro-N-Boc-L-cyclohexylalanine epoxide
IUPAC: tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamate
English name: (1S)-(1'-(S)-N-BOC-AMINO-2-CYCLOHEXYL-ETHYL)OXIRANE
Molecular formula: C15H27NO3
Molecular weight: 269.38

Names & synonyms

ERYTHRO-N-BOC-L-CYCLOHEXYLALANINE EPOXIDERefChem:591116891-068-8107202-62-0tert-Butyl ((S)-2-cyclohexyl-1-((S)-oxiran-2-yl)ethyl)carbamateTert-butyl N-[(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamatetert-Butyl((S)-2-cyclohexyl-1-((S)-oxiran-2-yl)ethyl)carbamateJRMDRWOEBLIOTE-QWHCGFSZSA-NSCHEMBL7375658DTXSID20431251MFCD08061628AKOS015950208

Show more names

(1S)-(1'-(S)-N-BOC-AMINO-2-CYCLOHEXYL-ETHYL)OXIRANE[(1S)-(1a€-(S)-N-Boc-Amino-2-cyclohexyl-ethyl)oxirane[(1S)-(1'-(S)-N-Boc-amino-2-cyclohexylethyl)oxirane≥ 99% (HPLC)(2S,3S)-3-[(t-Butoxycarbonyl)amino]-4-cyclohexyl-1,2-epoxybutane[(1S)-(1′-(S)-N-Boc-amino-2-cyclohexylethyl)oxirane, CAS 107202-62-0[(1S)-(1'-(S)-N-(Tert-Butoxy)Carbonyl Amino-2-cyclohexyl-ethyl)oxiraneCarbamic acid, N-[(1S)-2-cyclohexyl-1-[(2S)-2-oxiranyl]ethyl]-, 1,1-dimethylethyl ester

PS-12901DB-344285tert-butyl (S)-2-cyclohexyl-1-((S)-oxiran-2-yl)ethylcarbamatetert-Butyl (1S)-2-(cyclohexyl)-1-[(2S)-oxiran-2-yl]ethylcarbamatetert-Butyl {(1S)-2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl}carbamate

Database identifiers

CAS: 107202-62-0
PubChem CID: 9816868
DTXSID: DTXSID20431251
EC Number: 891-068-8

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 305

Physicochemical properties

Boiling point: 382.461 · 382.461±15.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.047 · 1.047±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 12.2 · 12.200±0.46(predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.