Basic information
- CAS
61190-10-1- Standard SMILES
CCOC(CNCc1ccccc1)OCC- InChIKey
SXFVQTYQHWRYOS-UHFFFAOYSA-N- Molecular formula
- C13H21NO2
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.15722891
Names & identifiers
- Preferred name
- (Benzylamino)acetaldehyde diethyl acetal
- IUPAC
- N-benzyl-2,2-diethoxyethanamine
- English name
- N-Benzylaminoacetaldehyde diethyl acetal
- Molecular formula
- C13H21NO2
- Molecular weight
- 223.31
Names & synonyms
(Benzylamino)acetaldehyde diethyl acetalRefChem:405848641-185-361190-10-1N-Benzyl-2,2-diethoxyethanamineN-Benzylaminoacetaldehyde diethyl acetalMFCD00051599(2,2-diethoxyethyl)benzylaminebenzyl(2,2-diethoxyethyl)amineN-Benzyl-N-(2,2-diethoxyethyl)amineSCHEMBL289500CHEMBL5075867
Show more names
2,2-diethoxyethyl-(phenylmethyl)ammoniumN-Benzyl-N-(2,2-diethoxyethyl)amine, 95+%Benzenemethanamine, N-(2,2-diethoxyethyl)-2-(Benzylamino)acetaldehyde diethyl acetal
n-benzyl-2,2-diethoxy-ethanaminebenzylaminoacetaldehyde diethylacetalN-Benzyl-2,2-diethoxyethanamine #Benzyl-(2,2-diethoxy-ethyl)-amineN-benzyl-2,2-diethoxyethan-1-amineSBB096524n-benzylaminoacetaldehyde diethylacetalAKOS017272998
Database identifiers
- CAS
61190-10-1- PubChem CID
- 521961
- ChEMBL
CHEMBL5075867- EC Number
- 641-185-3
- Nikkaji
- J308.909F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
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
24 records
Compound notes
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