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rac-(1r,4r)-4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclohexane-1-carboxylic acid

HCID 178953602
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Basic information

CAS
188715-40-4
Standard SMILES
O=C(NCC1CCC(C(=O)O)CC1)OCC1c2ccccc2-c2ccccc21
InChIKey
MLMIBGARTUSGND-UHFFFAOYSA-N
Molecular formula
C23H25NO4
Average molar mass
379.4 g/mol

Names & identifiers

Preferred name
rac-(1r,4r)-4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclohexane-1-carboxylic acid
IUPAC
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
English name
Fmoc-(4-aminomethyl)-cyclohexane carboxylic acid
Molecular formula
C23H25NO4
Molecular weight
379.45

Names & synonyms

167690-53-1rac-(1r,4r)-4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclohexane-1-carboxylic acidrac-(1r,4r)-4-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acidRefChem:873098847-117-0Fmoc-4-Amc-OH188715-40-4FMOC-TRANEXAMIC ACID4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)cyclohexanecarboxylic acidN-Fmoc-tranexamic acidFmoc-trans-4-(aminomethyl)-cyclohexane-1-carboxylic acidFmoc-trans-4-Amc-OH
Show more names
FMOC-AMC-OH4-[(Fmoc-amino)methyl]cyclohexanecarboxylic acidGlutamic Acid Impurity 5 MonomerFmoc-4-Amc-OH(cis/trans mixture)Fmoc-(4-aminomethyl)-cyclohexane carboxylic acid4-(Fmoc-aminomethyl)cyclohexane-1-carboxylic acid4-(Fmoc-aminomethyl)cyclohexane-1-carboxylicacid,98%Fmoc-4-aminomethylcyclohexane carboxylic acid≥ 99% (HPLC)TRANS-4-(9-FLUORENYLMETHYLOXYCARBONYLAMINOMETHYL)-CYCLOHEXANOIC ACID
528894-38-4MFCD00273480MFCD018623474-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylic Acidtrans-4-[[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]methyl]cyclohexanecarboxylic acidcis-4-[[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]methyl]cyclohexanecarboxylic acidtrans-4-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)cyclohexanecarboxylic acidFmoc-4-aminomethylcyclohexane carboxylic acid

Database identifiers

CAS
188715-40-4
EC Number
190-414-9、847-117-0
Nikkaji
J1.884.836H

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
75.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
535

Physicochemical properties

Boiling point
604.9 · 604.9±28.0 °C(Predicted)
Density
1.226 · 1.226±0.06 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
pka
4.85 · 4.85±0.10(Predicted)
form
Powder
color
Off-white to white
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Chemistry & industry

Upstream & downstream products

Upstream raw materials

cis-4-aminomethylcyclohexane-1-carboxylic acid9-Fluorenylmethyl chloroformateHydrochloric acid1,4-DioxaneSodium carbonate

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