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819-79-4 molecular structure
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bis(propan-2-yl)amine hydrochloride

ChemBase ID: 138676
Molecular Formular: C6H16ClN
Molecular Mass: 137.65094
Monoisotopic Mass: 137.0971272
SMILES and InChIs

SMILES:
CC(C)NC(C)C.Cl
Canonical SMILES:
CC(NC(C)C)C.Cl
InChI:
InChI=1S/C6H15N.ClH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H
InChIKey:
URAZVWXGWMBUGJ-UHFFFAOYSA-N

Cite this record

CBID:138676 http://www.chembase.cn/molecule-138676.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(propan-2-yl)amine hydrochloride
IUPAC Traditional name
diisopropylamine hydrochloride
Synonyms
Diisopropylamine hydrochloride
二异丙胺 盐酸盐
CAS Number
819-79-4
MDL Number
MFCD00034860
PubChem SID
162232927
24865905
PubChem CID
11320964

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
416460 external link Add to cart Please log in.
Data Source Data ID
PubChem 11320964 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8835524  LogD (pH = 7.4) -1.6228405 
Log P 1.3538874  Molar Refractivity 33.0282 cm3
Polarizability 13.342089 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
216-218 °C(lit.) expand Show data source
RTECS
IM4340000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99% expand Show data source
Linear Formula
[(CH3)2CH]2NH·HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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