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89979-68-0 molecular structure
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(3,3-dimethylbutan-2-yl)(methyl)amine hydrochloride

ChemBase ID: 45325
Molecular Formular: C7H18ClN
Molecular Mass: 151.67752
Monoisotopic Mass: 151.11277726
SMILES and InChIs

SMILES:
C(C(NC)C)(C)(C)C.Cl
Canonical SMILES:
CNC(C(C)(C)C)C.Cl
InChI:
InChI=1S/C7H17N.ClH/c1-6(8-5)7(2,3)4;/h6,8H,1-5H3;1H
InChIKey:
WOFLSXWEAIFJAH-UHFFFAOYSA-N

Cite this record

CBID:45325 http://www.chembase.cn/molecule-45325.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3,3-dimethylbutan-2-yl)(methyl)amine hydrochloride
IUPAC Traditional name
(3,3-dimethylbutan-2-yl)(methyl)amine hydrochloride
Synonyms
N,3,3-Trimethyl-2-butanamine hydrochloride
N,3,3-trimethylbutan-2-amine hydrochloride
CAS Number
89979-68-0
MDL Number
MFCD09971468
PubChem SID
162050088
PubChem CID
42937399

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 42937399 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3906615  LogD (pH = 7.4) -1.0980924 
Log P 1.8460006  Molar Refractivity 37.2545 cm3
Polarizability 15.189125 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
189 - 191°C expand Show data source
Hydrophobicity(logP)
1.647 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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