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63737-71-3 molecular structure
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(propan-2-yl)({3-[(propan-2-yl)amino]propyl})amine

ChemBase ID: 59394
Molecular Formular: C9H22N2
Molecular Mass: 158.28438
Monoisotopic Mass: 158.17829871
SMILES and InChIs

SMILES:
CC(NCCCNC(C)C)C
Canonical SMILES:
CC(NCCCNC(C)C)C
InChI:
InChI=1S/C9H22N2/c1-8(2)10-6-5-7-11-9(3)4/h8-11H,5-7H2,1-4H3
InChIKey:
OAVPQXXPJZPXTA-UHFFFAOYSA-N

Cite this record

CBID:59394 http://www.chembase.cn/molecule-59394.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(propan-2-yl)({3-[(propan-2-yl)amino]propyl})amine
IUPAC Traditional name
isopropyl[3-(isopropylamino)propyl]amine
Synonyms
N,N′-Diisopropyl-1,3-propanediamine
N,N'-Diisopropylpropane-1,3-diamine
N,N′-二异丙基-1,3-丙二胺
CAS Number
63737-71-3
MDL Number
MFCD00026357
PubChem SID
24859906
162064157
PubChem CID
144018

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 144018 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.107297  LogD (pH = 7.4) -3.3257024 
Log P 1.0494438  Molar Refractivity 50.618 cm3
Polarizability 20.399456 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
77 °C/15 mmHg(lit.) expand Show data source
Flash Point
147.2 °F expand Show data source
64 °C expand Show data source
Density
0.805 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.432(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 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
Risk Statements
34 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
TSCA Listed
false 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
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 2 expand Show data source
Purity
96% expand Show data source
Linear Formula
(CH3)2CHNH(CH2)3NHCH(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 332542 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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