Propanenitrile, 3,3'-(phenylimino)bis-

HCID 73780
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Basic information

CAS
1555-66-4
Standard SMILES
N#CCCN(CCC#N)c1ccccc1
InChIKey
NSVHSAUVIFTVPN-UHFFFAOYSA-N
Molecular formula
C12H13N3
Average molar mass
199.25 g/mol
Monoisotopic mass
199.11094742

Names & identifiers

Preferred name
Propanenitrile, 3,3'-(phenylimino)bis-
IUPAC
3-[N-(2-cyanoethyl)anilino]propanenitrile
English name
N,N-Bis(cyanoethyl)aniline
Molecular formula
C12H13N3
Molecular weight
199.25

Names & synonyms

N,N-Bis(2-cyanoethyl)anilinePropanenitrile, 3,3'-(phenylimino)bis-Bis(2-cyanoethyl)phenylamineAniline, N,N-dicyanoethyl-Aniline, N,N-bis(2-cyanoethyl)-(beta-Cyanoethyl)benzylamineNSC 108353Propionitrile, 3,3'-(phenylimino)di-EINECS 216-306-43,3'-(Phenylimino)bispropiononitrileDTXSID7061774RefChem:869006
Show more names
DCEATIMTEC-BB SBB008256N,N-DICYANOETHYL ANILINEAniline,N,N-dicyanoethyl-N,N'-BIS(CYANOETHYL)ANILINEN,N-Di(2-cyanoethyl)aniline
DTXCID3035008Propionitrile, 3,3'-(phenylimino)di-(8CI)216-306-41555-66-4N,N-Bis(cyanoethyl)aniline3,3'-(Phenylazanediyl)dipropanenitrile3-[(2-cyanoethyl)(phenyl)amino]propanenitrile3,3'-(Phenylimino)dipropionitrile

Database identifiers

CAS
1555-66-4
PubChem CID
73780
DTXSID
DTXSID7061774
EC Number
216-306-4
Nikkaji
J148.220C

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
50.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15

Physicochemical properties

Melting point
81 · 81-84 °C(lit.)
Boiling point
326.78 °C · 326.78°C (rough estimate)
Density
1.0222 · 1.0222 (rough estimate)
refractive index
1.568 · 1.5680 (estimate)
pka
3.85 · 3.85±0.50(Predicted)
CAS DataBase Reference
1555 · 1555-66-4(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.1%): Causes skin irritation [Warning Skin corrosion/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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)

Safety data

wgk
3
tsca
TSCA listed
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanenitrile, 3,3'-(phenylimino)bis-: INACTIVE

Applications

UsesN,N-Bis(cyanoethyl)aniline is used as a dye intermediate.

Upstream & downstream products

Upstream raw materials

Suppliers27 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州景优化工有限公司87211835 13957193240 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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