HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 100113Generated: November 3, 2026

N6-(tert-Butoxycarbonyl)-N2-((9H-fluoren-9-ylmethoxy)carbonyl)-L-lysine

N2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N6-(tert-butoxycarbonyl)-L-lysine · Fmoc-DL-Lys(Boc)-OH · N2-Fmoc-N6-Boc-DL-lysine · Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- · 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoic acid · 6-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid · 2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

https://huagongshe.com/en/chemical/100113

N6-(tert-Butoxycarbonyl)-N2-((9H-fluoren-9-ylmethoxy)carbonyl)-L-lysine molecular structure

Identifiers & Physical Properties

CAS No.	205812-10-8
Molecular formula	C26H32N2O6
Average molar mass	468.5 g/mol
Monoisotopic mass	468.22603674 g/mol
SMILES	CC(C)(C)OC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey	UMRUUWFGLGNQLI-UHFFFAOYSA-N
PubChem CID	100113
EC No.	276-256-4

Chemical & Physical Properties

XLogP	4.5
Topological polar surface area	114
Hydrogen bond donors	3
Hydrogen bond acceptors	6
Rotatable bonds	12
Heavy atoms	34
Formal charge	0
Complexity	684
Boiling point	685.745±55.00 °C(Press: 760.00 Torr)(predicted)
Density	1.210±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
Storage conditions	Store at room temperature, keep dry and cool
pKa (acidity coefficient)	3.883±0.21(predicted)
Appearance	White to off-white Solid
InChIKey	UMRUUWFGLGNQLI-QFIPXVFZSA-N
SMILES	C(O)(=O)[C@H](CCCCNC(OC(C)(C)C)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

Safety & Regulations

GHS classification	This chemical does not meet GHS hazard criteria for 50% (5 of 10) of reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory information	REACH registered substance: N6-(tert-butoxycarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine (EC: 276-256-4)
Hazard Classes and Categories	Skin Irrit. 2 (30%)

N6-(tert-Butoxycarbonyl)-N2-((9H-fluoren-9-ylmethoxy)carbonyl)-L-lysine

CAS No.

205812-10-8

Molecular formula

C26H32N2O6

Average molar mass

468.5 g/mol

Monoisotopic mass

468.22603674 g/mol

SMILES

CC(C)(C)OC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

InChIKey

UMRUUWFGLGNQLI-UHFFFAOYSA-N

PubChem CID

100113

EC No.

276-256-4

Chemical & Physical Properties

XLogP

4.5

Topological polar surface area

114

Hydrogen bond donors

Hydrogen bond acceptors

Rotatable bonds

Heavy atoms

Formal charge

Complexity

684

Boiling point

685.745±55.00 °C(Press: 760.00 Torr)(predicted)

Density

1.210±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)

Storage conditions

Store at room temperature, keep dry and cool

pKa (acidity coefficient)

3.883±0.21(predicted)

Appearance

White to off-white Solid

InChIKey

UMRUUWFGLGNQLI-QFIPXVFZSA-N

SMILES

C(O)(=O)[C@H](CCCCNC(OC(C)(C)C)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

Safety & Regulations

GHS classification

This chemical does not meet GHS hazard criteria for 50% (5 of 10) of reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatory information

REACH registered substance: N6-(tert-butoxycarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine (EC: 276-256-4)

Hazard Classes and Categories

Skin Irrit. 2 (30%)