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646-25-3 molecular structure
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decane-1,10-diamine

ChemBase ID: 105645
Molecular Formular: C10H24N2
Molecular Mass: 172.31096
Monoisotopic Mass: 172.19394878
SMILES and InChIs

SMILES:
NCCCCCCCCCCN
Canonical SMILES:
NCCCCCCCCCCN
InChI:
InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2
InChIKey:
YQLZOAVZWJBZSY-UHFFFAOYSA-N

Cite this record

CBID:105645 http://www.chembase.cn/molecule-105645.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
decane-1,10-diamine
IUPAC Traditional name
1,10-diaminodecane
Synonyms
1,10-DIAMINODECANE
1,10-Decanediamine
Decamethylenediamine
1,10-Diaminodecane
Decane-1,10-diaMine
1,10-癸二胺
十亚甲基二胺
1,10-二氨基癸烷
CAS Number
646-25-3
EC Number
211-471-9
MDL Number
MFCD00008151
Beilstein Number
1738591
PubChem SID
162092389
24859749
24277977
PubChem CID
1317

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.2256846  LogD (pH = 7.4) -3.3861315 
Log P 1.8222917  Molar Refractivity 54.9846 cm3
Polarizability 22.246355 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
59-61 °C(lit.) expand Show data source
59-63 °C expand Show data source
Boiling Point
140 °C/12 mmHg(lit.) expand Show data source
RTECS
HD7175000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3259 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34-37 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3259 8/PG 3 expand Show data source
Purity
≥98.0% (GC) expand Show data source
≥98.0% (NT) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
NH2(CH2)10NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02193643 external link
(1,10-Decanediamine)
Crystalline
NMDA receptor inverse agonist.
Sigma Aldrich - D14204 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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