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372-66-7 molecular structure
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6-amino-2-methylheptan-2-ol

ChemBase ID: 127663
Molecular Formular: C8H19NO
Molecular Mass: 145.24256
Monoisotopic Mass: 145.14666423
SMILES and InChIs

SMILES:
OC(C)(C)CCCC(N)C
Canonical SMILES:
CC(CCCC(O)(C)C)N
InChI:
InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3
InChIKey:
LREQLEBVOXIEOM-UHFFFAOYSA-N

Cite this record

CBID:127663 http://www.chembase.cn/molecule-127663.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-2-methylheptan-2-ol
IUPAC Traditional name
cardiomax
Synonyms
Heptaminol
CAS Number
372-66-7
PubChem SID
162221981
PubChem CID
3590
ATC CODE
C01DX08
Chemspider ID
3464
MeSH Name
Heptaminol
Wikipedia Title
Heptaminol

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.53074  H Acceptors
H Donor LogD (pH = 5.5) -2.2076032 
LogD (pH = 7.4) -1.9112762  Log P 0.8200569 
Molar Refractivity 43.7979 cm3 Polarizability 17.615318 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Bioassay(PubChem)
Boiling Point
250°C expand Show data source
Flash Point
105°C (221°F) expand Show data source
Density
0.895 g/mL expand Show data source
Risk Statements
R34 expand Show data source
Safety Statements
S26 expand Show data source
Main Hazard
Corrosive expand Show data source
Admin Routes
Oral, intravenous, intramuscular expand Show data source
Excretion
Renal expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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