Basic information
- CAS
101-06-4- Standard SMILES
OCCN(Cc1ccccc1)Cc1ccccc1- InChIKey
WTTWSMJHJFNCQB-UHFFFAOYSA-N- Molecular formula
- C16H19NO
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.14666423
Names & identifiers
- Preferred name
- N,N-Dibenzylethanolamine
- IUPAC
- 2-(dibenzylamino)ethanol
- English name
- N,N-Dibenzylethanolamine
- Molecular formula
- C16H19NO
- Molecular weight
- 241.33
Names & synonyms
N,N-Dibenzylethanolamine101-06-4N,N-Dibenzyl-2-aminoethanol2-(Dibenzylamino)ethanolEthanol, 2-[bis(phenylmethyl)amino]-2-(Bis(phenylmethyl)amino)ethanolEINECS 202-911-0Ethanol, 2-(bis(phenylmethyl)amino)-Ethanol, 2-(dibenzylamino)-Y4SS2HU537AI3-050512-[bis(phenylmethyl)amino]ethanol
Show more names
2-(dibenzylaMino)ethan-1-old01DibenzylaminoethanolDBZELA2-(dibenzylamino)-ethano2-[bis(benzyl)amino]ethanolEnsifen Group Impurities 51
N,N-DIBENZYL-.BETA.-AMINOETHANOLDTXSID7059224WTTWSMJHJFNCQB-UHFFFAOYSA-.BETA.-(N,N-DIBENZYLAMINO)ETHANOLRefChem:822213DTXCID5032573N,N-DIBENZYL-BETA-AMINOETHANOLBETA-(N,N-DIBENZYLAMINO)ETHANOL
Database identifiers
- CAS
101-06-4- PubChem CID
- 22657
- DTXSID
DTXSID7059224- UNII
- Y4SS2HU537
- EC Number
- 202-911-0
- Nikkaji
- J150.243C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 38 °C · 38°C
- Boiling point
- 206 °C · 206 °C / 15mmHg
- Density
- 1 · 1,06 g/cm3
- Flash point
- 38 °C · 38 °C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- pka
- 14.73 · 14.73±0.10(Predicted)
- color
- White or Colorless to Light yellow
- InChI
- InChI=1S/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2
- InChIKey
- WTTWSMJHJFNCQB-UHFFFAOYSA-N
- SMILES
- C(O)CN(CC1=CC=CC=C1)CC1=CC=CC=C1
- CAS DataBase Reference
- 101 · 101-06-4(CAS DataBase Reference)
- FDA UNII
- 4 SS2HU537 · Y4SS2HU537
- EPA Substance Registry System
- 2 · Ethanol, 2-[bis(phenylmethyl)amino]- (101-06-4)
- Symbol(GHS)
- 7 · GHS07
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Ethanol, 2-[bis(phenylmethyl)amino]-
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- KJ8125000
- ridadr
- UN2735
- hs_code
- 2905190098
- Toxicity
- rat,LDLo,oral,3400mg/kg (3400mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDGASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDSLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. OTS0534870,
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-[bis(phenylmethyl)amino]-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
Related reactions
9 records
Compound notes
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