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1187928-01-3 molecular structure
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7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride

ChemBase ID: 799720
Molecular Formular: C10H13BrClN
Molecular Mass: 262.57392
Monoisotopic Mass: 260.9919891
SMILES and InChIs

SMILES:
Cl.NC1CCc2c(cc(cc2)Br)C1
Canonical SMILES:
NC1Cc2cc(Br)ccc2CC1.Cl
InChI:
InChI=1S/C10H12BrN.ClH/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;/h1,3,5,10H,2,4,6,12H2;1H
InChIKey:
KFPANHDJMXKDEE-UHFFFAOYSA-N

Cite this record

CBID:799720 http://www.chembase.cn/molecule-799720.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
IUPAC Traditional name
7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
Synonyms
7-Bromo-1,2,3,4-tetrahydro-naphthalen-2-ylamine hydrochloride
CAS Number
1187928-01-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14691 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14691 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.31830058  LogD (pH = 7.4) 0.22708644 
Log P 2.7006524  Molar Refractivity 54.49 cm3
Polarizability 21.049294 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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