7-Thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraen-12-amine
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Basic information
- CAS
199277-87-7- Standard SMILES
Nc1ncnc2sc3c(c12)CCC3- InChIKey
VHROFEHOOFIVDR-UHFFFAOYSA-N- Molecular formula
- C9H9N3S
- Average molar mass
- 191.26 g/mol
- Monoisotopic mass
- 191.05171847
Names & identifiers
- Preferred name
- 7-Thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraen-12-amine
- IUPAC
- 7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
- English name
- 1-(2,3,4-TRIMETHOXYBENZYL)-1H-PYRAZOL-5-AMINE
- Molecular formula
- C9H9N3S
- Molecular weight
- 191.25
Names & synonyms
199277-87-77-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-amine7-Thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraen-12-amineRefChem:547068851-041-36,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amineMFCD00203886CHEMBL18364727-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine5,6,7-trihydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophene-4-ylamineNSC723453SCHEMBL13644114
Show more names
1-(2,3,4-TRIMETHOXYBENZYL)-1H-PYRAZOL-5-AMINE7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine5H-Cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, 6,7-dihydro-
BBL021931BDBM50354358EBC-00548SBB078233STK894648AKOS001127210NSC-723453SY153073
Database identifiers
- CAS
199277-87-7- PubChem CID
- 405801
- ChEMBL
CHEMBL1836472- EC Number
- 851-041-3
- Nikkaji
- J900.486F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 407.2 · 407.2±40.0 °C(Predicted)
- Density
- 1.461 · 1.461±0.06 g/cm3(Predicted)
- pka
- 5.66 · 5.66±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302-H312-H332
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
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, P317, 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
- H319-H335-H315-H302-H312-H332
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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