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1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-

HCID 74271
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1665-59-4
Standard SMILES
CCN(CC)CCNc1ccccc1
InChIKey
QUMIGAREEPSVLG-UHFFFAOYSA-N
Molecular formula
C12H20N2
Average molar mass
192.3 g/mol
Monoisotopic mass
192.16264865

Names & identifiers

Preferred name
1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-
IUPAC
N',N'-diethyl-N-phenylethane-1,2-diamine
English name
N,N-DIETHYL-N'-PHENYLETHYLENEDIAMINE
Molecular formula
C12H20N2
Molecular weight
192.3

Names & synonyms

N,N-Diethyl-N'-phenylethylenediamine1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-NSC 30212Aniline, N-(2-(diethylamino)ethyl)-1167 FEthylenediamine, N,N-diethyl-N'-phenyl-Benzenamine, N-(2-(diethylamino)ethyl)-EINECS 216-778-1BRN 2804481N-(beta-(N,N-Diethylamino)ethyl)anilineAniline, N-[2-(diethylamino)ethyl]-Benzenamine, N-[2-(diethylamino)ethyl]-
Show more names
1167fAKOS BC-0406N,N-Diethyl-NÕN-(2-Diethylaminoethyl)aniline2-(anilino)ethyl-diethyl-amine2-aminoethyl-diethyl-phenylammoniumn,n-diethyl-n’-phenyl-ethylenediamin
N1,N1-Diethyl-N2-phenyl-1,2-ethanediamineRefChem:411916216-778-11665-59-41,2-Ethanediamine, N,N-diethyl-N'-phenyl-N',N'-diethyl-N-phenylethane-1,2-diamineN,N-Diethyl-N/'-phenylethylenediamineNSC-30212

Database identifiers

CAS
1665-59-4
PubChem CID

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
Formal charge
0
Complexity
126

Physicochemical properties

Boiling point
318.3 °C · 318.3°C (rough estimate)
Density
1.0076 · 1.0076 (rough estimate)
refractive index
1.52 · 1.5200 (estimate)
pka
9.75 · 9.75±0.25(Predicted)
EWG's Food Scores
1 · 1
EPA Substance Registry System
1 · 1,2-Ethanediamine, N,N-diethyl-N'-phenyl- (1665-59-4)
Symbol(GHS)
5 · GHS05,GHS06
Signal word
Danger
Hazard statements
301 · H301-H318
Precautionary statements
264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310
TSCA
TSCA listed

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 · 5 items

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral];H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, 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.;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 CategoriesAcute Tox. 3 (97.4%);Eye Dam. 1 (97.4%)

Safety data

tsca
TSCA listed
Signal word
Danger
Symbol(GHS)
GHS05,GHS06
Hazard statements
H301-H318
Precautionary statements
P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-: INACTIVE

Suppliers5 total

武汉易泰科技有限公司上海分公司18930552037 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉创合化学有限公司15907120073 · [email protected]

Related reactions

5 records
New reaction record
HRID 116536 reaction equation
HRID 116536As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1231289 reaction equation
HRID 1231289As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1670856 reaction equation
HRID 1670856As reactantuspto-grants-2011_08
HRID 1833982 reaction equation
HRID 1833982As productuspto-grants-1978_01
HRID 2073755 reaction equation
HRID 2073755As reactantuspto-grants-1990_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
74271
DTXSID
DTXSID6061862
UNII
TT4LE65LN8
EC Number
216-778-1
Nikkaji
J195.303F