Basic information
- CAS
61190-10-1- Standard SMILES
CCOC(C[NH2+]Cc1ccccc1)OCC- InChIKey
SXFVQTYQHWRYOS-UHFFFAOYSA-O- Molecular formula
- C13H22NO2+
- Average molar mass
- 224.32 g/mol
- Monoisotopic mass
- 224.16505395
Names & identifiers
- Preferred name
- 2,2-Diethoxyethyl-(phenylmethyl)ammonium
- IUPAC
- benzyl(2,2-diethoxyethyl)azanium
- English name
- N-Benzylaminoacetaldehyde diethyl acetal
- Molecular formula
- C13H21NO2
- Molecular weight
- 223.31
Names & synonyms
2,2-diethoxyethyl-(phenylmethyl)ammoniumDTXSID10976702N-Benzyl-2,2-diethoxyethan-1-aminiumN-Benzyl-2,2-diethoxyethanamineN-benzyl-2,2-diethoxyethan-1-amineN-BENZYL-N-(2,2-DIETHOXYETHYL)AMINEN-Benzylaminoacetaldehyde diethyl acetal(Benzylamino)acetaldehyde diethyl acetalN-Benzyl-N-(2,2-diethoxyethyl)amine, 95+%Benzenemethanamine, N-(2,2-diethoxyethyl)-2-(Benzylamino)acetaldehyde diethyl acetal
Database identifiers
- CAS
61190-10-1- PubChem CID
- 6933263
- DTXSID
DTXSID10976702
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 152
Physicochemical properties
- Boiling point
- 115 · 115-117°C 1mm
- Density
- 0.985 · 0.985±0.06 g/cm3(Predicted)
- refractive index
- 1.489 · 1.4890
- Flash point
- 115 · 115-117°C/1mm
- pka
- 7.53 · 7.53±0.29(Predicted)
- BRN
- 2694610 · 2694610
- CAS DataBase Reference
- 61190 · 61190-10-1(CAS DataBase Reference)
- NIST Chemistry Reference
- N-benzylaminoacetaldehyde diethyl acetal(61190-10-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2911000000 · 2911000000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2911000000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesN-Benzyl-N-2,2-diethoxyethylamine is a reactant used in the design of new potent and selective secretory phospholipase A2 inhibitors.
Upstream & downstream products
Downstream products
Suppliers19 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
科瑞希（天津）新材料技术有限公司022-83945173 18622315263 · [email protected]
广州市金华大化学试剂有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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