Basic information
- CAS
1029144-15-7- Standard SMILES
O=C(O)c1ncnc2cc[nH]c12- InChIKey
DMVIOVBHUPSACZ-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.03817641
Names & identifiers
- Preferred name
- 5H-pyrrolo(3,2-d)pyrimidine-4-carboxylic acid
- IUPAC
- 5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
- English name
- 5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
- Molecular formula
- C7H5N3O2
- Molecular weight
- 163.13
Names & synonyms
5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid1029144-15-75H-pyrrolo(3,2-d)pyrimidine-4-carboxylic acidRefChem:538302969-317-8MFCD17012972SCHEMBL1706244SCHEMBL14074733ERB14415AKOS037644484PB39412AS-53791
Show more names
SY059647DB-349944CS-00504635H-pyrrolo[3,2-d]pyrimidine-4-carboxylicacidP17121EN300-7834626F519826
Database identifiers
- CAS
1029144-15-7- PubChem CID
- 59802575
- EC Number
- 969-317-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 468.3 · 468.3±25.0 °C(Predicted)
- Density
- 1.617 · 1.617±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 1.24 · 1.24±0.10(Predicted)
- Appearance
- Brown to khaki Solid
- CAS DataBase Reference
- 1029144 · 1029144-15-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers10 total
Aladdin Scientific[email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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