CAS
65692-21-9 Purity
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65692-21-9 Purity
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Benzoic acid,4-[(hydroxyamino)iminomethyl]-, methyl ester
CAS
65695-05-8
Catalog Number
ACM65695058
Category
Other Products
Molecular Weight
194.1873
Molecular Formula
C9H10 N2 O3
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Specification
Synonyms
MolPort-000-003-946, ZINC04200699, ZINC14007568, CID9644611, MO07507, H15986, 4-[(Hydroxyamino)iminomethyl]-benzoic acid, methyl ester, 65695-05-8
IUPAC Name
methyl 4-[(Z)-N-hydroxycarbamimidoyl]benzoate
Canonical SMILES
COC(=O)C1=CC=C(C=C1)C(=NO)N
InChI Key
IGHWNCLZGNNKBN-UHFFFAOYSA-N
Boiling Point
381.5ºC at 760mmHg
Melting Point
172-174ºC
Flash Point
184.5ºC
Density
1.28g/cm³
Exact Mass
194.06900
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
2
Upstream Synthesis Route 1
- 1129-35-7
- 65695-05-8
Reference: [1] Patent: WO2017/220446, 2017, A1, . Location in patent: Page/Page column 26
Upstream Synthesis Route 2
- 1443-80-7
- 65695-05-8
Reference: [1] Patent: US2003/45546, 2003, A1,
Upstream Synthesis Route 3
- 1443-80-7
- 65695-05-8
Reference: [1]Patent: US2003/45546,2003,A1
Downstream Synthesis Route 1
- 65695-05-8
- 208108-75-2
- 569685-49-0
Reference: [1]Journal of Medicinal Chemistry,2004,vol. 47,p. 6662 - 6665
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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