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30564-98-8 molecular structure
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3,3-dimethylbutan-1-amine hydrochloride

ChemBase ID: 256885
Molecular Formular: C6H16ClN
Molecular Mass: 137.65094
Monoisotopic Mass: 137.0971272
SMILES and InChIs

SMILES:
C(CCN)(C)(C)C.Cl
Canonical SMILES:
NCCC(C)(C)C.Cl
InChI:
InChI=1S/C6H15N.ClH/c1-6(2,3)4-5-7;/h4-5,7H2,1-3H3;1H
InChIKey:
CWISRCWPFJNOGM-UHFFFAOYSA-N

Cite this record

CBID:256885 http://www.chembase.cn/molecule-256885.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3-dimethylbutan-1-amine hydrochloride
IUPAC Traditional name
3,3-dimethylbutan-1-amine hydrochloride
Synonyms
3,3-dimethylbutan-1-amine hydrochloride
CAS Number
30564-98-8
MDL Number
MFCD11099509
PubChem SID
164312795
PubChem CID
42944931

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-37187 external link Add to cart Please log in.
Data Source Data ID
PubChem 42944931 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.738154  LogD (pH = 7.4) -1.3089385 
Log P 1.2855064  Molar Refractivity 32.8161 cm3
Polarizability 13.342089 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
353 - 355°C expand Show data source
Hydrophobicity(logP)
1.721 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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