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65915-94-8 molecular structure
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tert-butyl N-(6-aminohexyl)carbamate hydrochloride

ChemBase ID: 146477
Molecular Formular: C11H25ClN2O2
Molecular Mass: 252.7814
Monoisotopic Mass: 252.16045573
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)NCCCCCCN.Cl
Canonical SMILES:
NCCCCCCNC(=O)OC(C)(C)C.Cl
InChI:
InChI=1S/C11H24N2O2.ClH/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3,(H,13,14);1H
InChIKey:
JSBWQIZQJOQPFN-UHFFFAOYSA-N

Cite this record

CBID:146477 http://www.chembase.cn/molecule-146477.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-(6-aminohexyl)carbamate hydrochloride
IUPAC Traditional name
tert-butyl N-(6-aminohexyl)carbamate hydrochloride
Synonyms
N-Boc-1,6-diamino-hexane hydrochloride
tert-Butyl N-(6-aminohexyl)carbamate hydrochloride
N-Boc-1,6-hexanediamine hydrochloride
N-(6-氨基己基)氨基甲酸叔丁酯 盐酸盐
N-Boc-1,6-二氨基己烷 盐酸盐
N-Boc-1,6-己二胺 盐酸盐
CAS Number
65915-94-8
EC Number
265-976-4
MDL Number
MFCD00039072
Beilstein Number
3631740
PubChem SID
24849387
162240673
24867340
PubChem CID
3017638

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3017638 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.227276  H Acceptors
H Donor LogD (pH = 5.5) -1.4878738 
LogD (pH = 7.4) -1.068097  Log P 1.5361145 
Molar Refractivity 61.4536 cm3 Polarizability 24.417141 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
162-164 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98% expand Show data source
≥98.0% (AT) expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3)3COCONH(CH2)6NH2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 437018 external link
Application
Reagent for the introduction of a C6-spacer.
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 15392 external link
Application
Reagent for the introduction of a C6-spacer.
Other Notes
Reagent for the introduction of a C6-spacer;1,2 synthesis of polyamines and -amides3,4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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