7-methoxy-1H-1,3-benzodiazol-2-amine

HCID 52987703CAS 1018895-06-1
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc2[nH]c(N)nc12
InChIKey
JXZONHOHNHEXOQ-UHFFFAOYSA-N
Molecular formula
C8H9N3O
Average molar mass
163.18 g/mol
Monoisotopic mass
163.07456191

Names & identifiers

Preferred name
7-methoxy-1H-1,3-benzodiazol-2-amine
IUPAC
4-methoxy-1H-benzimidazol-2-amine
English name
7-Methoxy-1H-benzimidazol-2-amine
Molecular formula
C8H9N3O
Molecular weight
163.18

Names & synonyms

7-methoxy-1H-1,3-benzodiazol-2-amineRefChem:546662859-509-91018895-06-17-METHOXY-1H-BENZOIMIDAZOL-2-YLAMINE7-Methoxy-1H-benzo[d]imidazol-2-amine4-methoxy-1H-benzimidazol-2-amine2-Amino-4-methoxybenzoimidazole7-Methoxy-1H-benzimidazol-2-amineMFCD166596101H-Benzimidazol-2-amine, 7-methoxy-SCHEMBL215705
Show more names
SCHEMBL4153325SCHEMBL24834182SCHEMBL31723877DTXSID00680942JXZONHOHNHEXOQ-UHFFFAOYSA-NTQB89506AC7968AKOS022176082

Database identifiers

CAS
1018895-06-1
PubChem CID
52987703
DTXSID
DTXSID00680942
EC Number
859-509-9

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
63.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
400.6 · 400.6±37.0 °C(Predicted)
Density
1.344 · 1.344±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
10.63 · 10.63±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319-H302
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Upstream & downstream products

Suppliers13 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
济南千叶医药技术有限公司70803088888 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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