Basic information
- CAS
1000340-07-7- Standard SMILES
Cc1c(NCC#N)cccc1C(=O)O- InChIKey
JKWRDAHAMJNQAC-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.07422757
Names & identifiers
- Preferred name
- 3-(Cyanomethylamino)-2-methylbenzoic acid
- IUPAC
- 3-(cyanomethylamino)-2-methylbenzoic acid
- English name
- 7-Bromothieno[3,2-d]pyrimidin-4-amine
- Molecular formula
- C10H10N2O2
- Molecular weight
- 190.2
Names & synonyms
1000340-07-73-(CYANOMETHYLAMINO)-2-METHYLBENZOIC ACID3-((Cyanomethyl)amino)-2-methylbenzoic acidMFCD099104153-((Cyanomethyl)amino)-2-methylbenzoicacid3-[(CYANOMETHYL)AMINO]-2-METHYLBENZOIC ACIDDTXSID201263001AR3095AKOS006311201AS-455243-(cyanomethylamino)-2-methyl-benzoic acidCS-0172058
Show more names
Benzoic acid, 3-[(cyanomethyl)amino]-2-methyl-
F306429
Database identifiers
- CAS
1000340-07-7- PubChem CID
- 45926003
- DTXSID
DTXSID201263001
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Chemistry & industry
Suppliers1 total
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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