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646-24-2 molecular structure
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nonane-1,9-diamine

ChemBase ID: 74492
Molecular Formular: C9H22N2
Molecular Mass: 158.28438
Monoisotopic Mass: 158.17829871
SMILES and InChIs

SMILES:
NCCCCCCCCCN
Canonical SMILES:
NCCCCCCCCCN
InChI:
InChI=1S/C9H22N2/c10-8-6-4-2-1-3-5-7-9-11/h1-11H2
InChIKey:
SXJVFQLYZSNZBT-UHFFFAOYSA-N

Cite this record

CBID:74492 http://www.chembase.cn/molecule-74492.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonane-1,9-diamine
IUPAC Traditional name
nonane-1,9-diamine
Synonyms
1,9-Diaminononane
1,9-Nonanediamine
Nonamethylenediamine
1,9-Diaminononane
1,9-壬烷二胺
伸壬基二胺
1,9-二氨基壬烷
CAS Number
646-24-2
EC Number
211-470-3
MDL Number
MFCD00008251
Beilstein Number
1737533
PubChem SID
24851254
24860007
162039411
PubChem CID
69534

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.6702533  LogD (pH = 7.4) -3.8307004 
Log P 1.3777231  Molar Refractivity 50.3836 cm3
Polarizability 20.399456 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
35-37 °C expand Show data source
35-37 °C(lit.) expand Show data source
36-40°C expand Show data source
Boiling Point
258-259 °C/756 mmHg(lit.) expand Show data source
258-259°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Storage Warning
Air Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3259 expand Show data source
UN3259 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
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3259 8/PG 2 expand Show data source
Purity
≥95.0% (NT) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Impurities
≤2% water expand Show data source
Linear Formula
NH2(CH2)9NH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 187127 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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