Basic information
- CAS
207738-04-3- Standard SMILES
O=C(O)c1c2c(nc3ccccc13)CCCC2- InChIKey
JYVPWMIZRISTEH-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-9-acridinecarboxylic acid
- IUPAC
- 1,2,3,4-tetrahydroacridine-9-carboxylic acid
- English name
- 1,2,3,4-Tetrahydro-9-acridinecarboxylic acid dihydrate
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
38186-54-81,2,3,4-Tetrahydro-9-acridinecarboxylic acidNSC 91887GLL5K7W3VC9-Acridinecarboxylic acid, 1,2,3,4-tetrahydro-NSC-91887NSC631613NSC-631613DTXSID30191571NSC918879-CARBOXY-1,2,3,4-TETRAHYDROACRIDINERefChem:196670
Show more names
RMA-3031,2,3,4-tetrahydro-9-acridinecarboxylic acid hydrate1,2,3,4-TETRAHYDROACRIDINE-9-CARBOXYLIC ACID HYDRATE,2,3,4-TETRAHYDRO-9-ACRIDINECARBOXYLIC ACID DIHYDRATE1,2,3,4-TETRAHYDROACRIDINE-9-CARBOXYLIC ACID DIHYDRATE1,2,3,4-Tetrahydroacridine-9-carboxylic acidhydrate,96%1,2,3,4-TETRAHYDROACRIDINE-9-CARBOXYLIC ACID HYDRATE 96%1,2,3,4-tetrahydroacridine-9-carboxylic acid(SALTDATA: FREE)
DTXCID701140621,2,3,4-tetrahydroacridine-9-carboxylic acidMFCD001344411,2,3,4-Tetrahydro-9-acridinecarboxylic acid dihydrate5,6,7,8-tetrahydroacridine-9-carboxylic acidEnamine_001942UNII-GLL5K7W3VCCambridge id 5182245
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 284 · 284-288 °C(lit.)
- Boiling point
- 421 · 421.0±45.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- pka
- 1.15 · 1.15±0.20(Predicted)
- FDA UNII
- 5 K7W3VC · GLL5K7W3VC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29339980 · 29339980
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 29339980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers23 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
湖南华义智德医药科技有限公司17752881701 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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