1,2-Ethanediamine, N1-phenyl-
Basic information
- CAS
1664-40-0- Standard SMILES
NCCNc1ccccc1- InChIKey
OCIDXARMXNJACB-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004839
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N1-phenyl-
- IUPAC
- N'-phenylethane-1,2-diamine
- English name
- N-Phenylethylenediamine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
N-Phenylethylenediamine1664-40-0N-(2-Aminoethyl)anilineEthylenediamine, N-phenyl-1,2-Ethanediamine, N-phenyl-N-Phenyl-1,2-ethanediamine1,2-Ethanediamine, N1-phenyl-Benzenamine, N-(2-aminoethyl)-NSC 84247EINECS 216-773-4DTXSID1061861RefChem:411971
Show more names
RARECHEM AL BW 1149TIMTEC-BB SBB004200N-PhenylethyldiamineN-PHENYLETHYLENEDIAMn-phenyl-2-ethanediamineRivaroxaban Impurity 2722-(Phenylamino)ethanamine
DTXCID8035344Ethylenediamine, N-phenyl-(8CI)216-773-4N1-Phenylethane-1,2-diamineN'-phenylethane-1,2-diamineMFCD00008162N-phenylethane-1,2-diaminen1-phenyl-1,2-ethanediamine
Database identifiers
- CAS
1664-40-0- PubChem CID
- 74270
- DTXSID
DTXSID1061861- EC Number
- 216-773-4
- Nikkaji
- J141D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 77.3
Physicochemical properties
- Melting point
- 183 · 183-186 °C
- Boiling point
- 263 °C · 263 °C
- Density
- 1.05 · 1.05
- refractive index
- 1.59 · 1.59
- Flash point
- 113 °C · 113 °C - closed cup
- storage temp.
- 2 · 2-8°C
- pka
- 8.8 · 8.80±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Sensitive
- Air Sensitive
- BRN
- 508205 · 508205
- InChI
- 1S/C8H12N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
- InChIKey
- OCIDXARMXNJACB-UHFFFAOYSA-N
- SMILES
- NCCNc1ccccc1
- CAS DataBase Reference
- 1664 · 1664-40-0(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N-phenyl- (1664-40-0)
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
H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.8%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2735
- hs_code
- 2921590090
- risk_code
- 34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1-phenyl-: ACTIVE
Upstream & downstream products
Downstream products
Related reactions
95 records
Compound notes
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