CAS 162046-58-4 (1r,4r)-4-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid (HCID 736918)

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Basic information

CAS: 162046-58-4
Standard SMILES: CC(C)(C)OC(=O)NCC1CCC(C(=O)O)CC1
InChIKey: AZEKNJGFCSHZID-UHFFFAOYSA-N
Molecular formula: C13H23NO4
Average molar mass: 257.33 g/mol
Monoisotopic mass: 257.16270822

Names & identifiers

Preferred name: (1r,4r)-4-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid
IUPAC: 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
English name: BOC-(4-AMINOMETHYL)-CYCLOHEXANE-CARBOXYLIC ACID
Molecular formula: C13H23NO4
Molecular weight: 257.33

Names & synonyms

27687-14-5847416-70-0(1r,4r)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid(1r,4r)-4-((((Tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acidrac-(1s,4s)-4-((((tert-butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acidrac-(1s,4s)-4-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acidRefChem:393458830-276-5990-511-3162046-58-4Boc-4-Amc-OHBOC-TRANEXAMIC ACID

Show more names

4-(TERT-BUTOXYCARBONYLAMINO-METHYL)-CYCLOHEXANECARBOXYLIC ACIDBoc-4-Amc-OH(cis/trans mixture)Boc-4-aminomethylcyclohexane carboxylic acid≥ 98% (NMR)(1R,4R)-4-(((tert-Butoxycarbonyl)aMino)Methyl)cyclohexanecarboxylic acidBOC-AMC-OHBUTTPARK 52\04-68IFLAB-BB F2108-0060Tranexamic Acid Impurity 23Tranexamic Acid Related Compound 3

4-(((tert-Butoxycarbonyl)amino)methyl)cyclohexanecarboxylic acidtrans-4-(tert-Butoxycarbonylaminomethyl)cyclohexanecarboxylic Acidcis-(1,1-Dimethylethoxy)carbonyl Tranexamic Acid4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic AcidMFCD01862289MFCD00673773trans-4-(((tert-Butoxycarbonyl)amino)methyl)cyclohexanecarboxylic acidtrans-4-N-Boc-Aminomethyl-cyclohexanecarboxylic acid

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 301

Physicochemical properties

Boiling point: 410 · 410.0±18.0 °C(Predicted)
Density: 1.096 · 1.096±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Ethyl Acetate
form: Solid
pka: 4.85 · 4.85±0.10(Predicted)
color: Off White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
HS Code: 2924190090 · 2924190090

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Hazard Classes and Categories · 3 items

Skin Irrit. 2 (50%)

Skin Irrit. 2 (100%)

Safety data

hs_code: 2924190090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Chemistry & industry

Applications

Uses4-[[(t-Butoxycarbonyl)amino]methyl]cyclohexanecarboxylic Acid is an intermediate in synthesizing cis-Tranexamic Acid (T714500), which is antifibrinolytic agent; blocks lysine binding sites of plasminogen. Hemostatic.