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2-Amino-6-(((tert-butoxy)carbonyl)amino)hexanoic acid

HCID 544580
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1187656-20-7
Standard SMILES
CC(C)(C)OC(=O)NCCCCC(N)C(=O)O
InChIKey
VVQIIIAZJXTLRE-UHFFFAOYSA-N
Molecular formula
C11H22N2O4
Average molar mass
246.3 g/mol
Monoisotopic mass
246.15795719

Names & identifiers

Preferred name
2-Amino-6-(((tert-butoxy)carbonyl)amino)hexanoic acid
IUPAC
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
English name
Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-
Molecular formula
C11H22N2O4
Molecular weight
246.3

Names & synonyms

1187656-20-72-amino-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid2-Amino-6-(((tert-butoxy)carbonyl)amino)hexanoic acid2-Amino-6-([(tert-butoxy)carbonyl]amino)hexanoic acid2-Amino-6-[[(tert-butoxy)carbonyl]amino]hexanoic acidRefChem:464685852-068-32-amino-6-(tert-butoxycarbonylamino)hexanoic acidH-DL-Lys(Boc)-OHMFCD01883027N-epsilon-t-boc-L-LysineN6-(TERT-BUTOXYCARBONYL)LYSINE
Show more names
N6-Boc-DL-lysine
2-Amino-6-((tert-butoxycarbonyl)amino)hexanoic acid2-amino-6-(Boc-amino)hexanoic acid2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acidLysine, N6-[(1,1-dimethylethoxy)carbonyl]-Ne-Boc-D-lysineLVE5CL9VLLSCHEMBL2311498VVQIIIAZJXTLRE-UHFFFAOYSA-N

Database identifiers

CAS
1187656-20-7
PubChem CID
544580
UNII
LVE5CL9VLL
EC Number
852-068-3
Nikkaji
J3.713.086I

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
102 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
17
Formal charge
0
Complexity
261

Physicochemical properties

Boiling point
412.9 · 412.9±40.0 °C(Predicted)
Density
1.113 · 1.113±0.06 g/cm3(Predicted)
pka
2.53 · 2.53±0.24(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H335-H315
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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
H319-H335-H315
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers11 total

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
西安凯新生物科技有限公司029-68881181 13619217766 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海研纷生化科技有限公司17721070236 13611955358 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
山东博宇生物技术有限公司13356310019 13356310019 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]

Related reactions

5 records
New reaction record
HRID 695669 reaction equation
HRID 695669As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1217516 reaction equation
HRID 1217516As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1557089 reaction equation
HRID 1557089As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1599363 reaction equation
HRID 1599363As reactantuspto-grants-1998_04
HRID 1721548 reaction equation
HRID 1721548As reactantuspto-grants-1996_04

Compound notes

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