CAS 144186-13-0 Boc-DL-Cha-OH (HCID 2817530)

Substructure search Find similar structures

Basic information

CAS: 144186-13-0
Standard SMILES: CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)O
InChIKey: MSZQAQJBXGTSHP-UHFFFAOYSA-N
Molecular formula: C14H25NO4
Average molar mass: 271.35 g/mol

Names & identifiers

Preferred name: Boc-DL-Cha-OH
IUPAC: 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
English name: Boc-DL-Cha-OH
Molecular formula: C14H25NO4
Molecular weight: 271.35

Names & synonyms

144186-13-0BOC-DL-CHA-OHRefChem:569772820-254-32-((tert-Butoxycarbonyl)amino)-3-cyclohexylpropanoic acid3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoic acidMFCD030955142-(Boc-amino)-3-cyclohexylpropanoic acid2-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanoic acid2-((tert-Butoxycarbonyl)amino)-3-cyclohexylpropanoicacidMSZQAQJBXGTSHP-UHFFFAOYSA-N

Show more names

Boc-DL-ChaBoc-3-cyclohexyl-DL-alanineN-Boc-dl-3-cyclohexylalanine2-(tert-butoxycarbonyl)-3-cyclohexylpropanoic acidCyclohexanepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-

Boc-b-cyclohexyl-D-alanine(R)-2-(tert-Butoxycarbonylamino)-3-cyclohexylpropanoic acidSCHEMBL169452-TERT-BUTOXYCARBONYLAMINO-3-CYCLOHEXYL-PROPIONIC ACIDUFA18613AKOS009159470SB16147SB16148

Database identifiers

CAS: 144186-13-0
PubChem CID: 2817530
EC Number: 820-254-3

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 316

Physicochemical properties

Boiling point: 420.4 · 420.4±28.0 °C(Predicted)
Density: 1.083 · 1.083±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 4.02 · 4.02±0.10(Predicted)
color: Off White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2922500090 · 2922500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.