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109467-00-7 molecular structure
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2-amino-5-methylbenzaldehyde

ChemBase ID: 803580
Molecular Formular: C8H9NO
Molecular Mass: 135.16316
Monoisotopic Mass: 135.06841391
SMILES and InChIs

SMILES:
c1(c(ccc(c1)C)N)C=O
Canonical SMILES:
O=Cc1cc(C)ccc1N
InChI:
InChI=1S/C8H9NO/c1-6-2-3-8(9)7(4-6)5-10/h2-5H,9H2,1H3
InChIKey:
WUTVUNYCKGJXHV-UHFFFAOYSA-N

Cite this record

CBID:803580 http://www.chembase.cn/molecule-803580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-methylbenzaldehyde
IUPAC Traditional name
2-amino-5-methylbenzaldehyde
Synonyms
2-AMINO-5-METHYLBENZALDEHYDE
CAS Number
109467-00-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20271 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20271 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) 2.0189354  LogD (pH = 7.4) 2.0202272 
Log P 2.0202436  Molar Refractivity 42.3836 cm3
Polarizability 15.125289 Å3 Polar Surface Area 43.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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