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3287-99-8 molecular structure
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phenylmethanaminium chloride

ChemBase ID: 301951
Molecular Formular: C7H10ClN
Molecular Mass: 143.614
Monoisotopic Mass: 143.05017701
SMILES and InChIs

SMILES:
c1ccc(cc1)C[NH3+].[Cl-]
Canonical SMILES:
[NH3+]Cc1ccccc1.[Cl-]
InChI:
InChI=1S/C7H9N.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
InChIKey:
XKXHCNPAFAXVRZ-UHFFFAOYSA-N

Cite this record

CBID:301951 http://www.chembase.cn/molecule-301951.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenylmethanaminium chloride
IUPAC Traditional name
benzylaminium chloride
Synonyms
Benzylamine hydrochloride
苄胺 盐酸盐
CAS Number
3287-99-8
EC Number
221-943-6
MDL Number
MFCD00012852
Beilstein Number
3594394
Merck Index
141125

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.890384  LogD (pH = 7.4) -0.9633724 
Log P 1.0990143  Molar Refractivity 45.8242 cm3
Polarizability 13.662227 Å3 Polar Surface Area 27.64 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
262-263°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
DP5425000 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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