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543-15-7 molecular structure
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6-amino-2-methylheptan-2-ol hydrochloride

ChemBase ID: 169871
Molecular Formular: C8H20ClNO
Molecular Mass: 181.7035
Monoisotopic Mass: 181.12334195
SMILES and InChIs

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

Cite this record

CBID:169871 http://www.chembase.cn/molecule-169871.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-2-methylheptan-2-ol hydrochloride
IUPAC Traditional name
cardiomax hydrochloride
Synonyms
6-Amino-2-methyl-2-heptanol Hydrochloride
(5-Hydroxy-1,5-dimethylhexyl)amine Hydrochloride
2-Amino-6-hydroxy-6-methylheptane Hydrochloride
2-Methyl-6-amino-2-heptanol Hydrochloride
6-Hydroxy-6-methyl-2-aminoheptane Hydrochloride
6-Hydroxy-6-methyl-2-heptamine Hydrochloride
6-Hydroxy-6-methyl-2-heptylamine Hydrochloride
Corasore Hydrochloride
Heptaminol Hydrochloride
CAS Number
543-15-7
PubChem SID
162264003
PubChem CID
10969

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H281170 external link Add to cart
PubChem 10969 external link
Data Source Data ID Price
TRC
H281170 external link Add to cart Please log in.
Data Source Data ID
PubChem 10969 external link

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

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H281170 external link
Heptaminol Hydrochloride is used in the preparation of drugs for treating cardiovascular and cerebrovascular diseases.

REFERENCES

REFERENCES

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  • • Thompson, W., et al.: Clin. Chem., 40, 1703 (1994)
  • • Romberg, R., et al.: J. Anal. Toxicol., 19, 157 (1994)
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PATENTS

PATENTS

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INTERNET

INTERNET

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