4-Methyldiphenylamine

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Catalog Number
ACM620848
Product Name
4-Methyldiphenylamine
Structure
Structure
CAS
620-84-8
Category
Heterocyclic Organic Compound
Synonyms
N-Phenyl-p-toluidine
IUPAC Name
4-methyl-N-phenylaniline
Molecular Weight
183.25
Molecular Formula
C13H13N
Canonical SMILES
CC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C13H13N/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10,14H,1H3
InChI Key
AGHYMXKKEXDUTA-UHFFFAOYSA-N
Melting Point
90 °C
Density
Air Sensitive
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Complexity
153
Covalently-Bonded Unit Count
1
EC Number
210-655-6
Exact Mass
183.104799g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
H-Bond Acceptor
1
H-Bond Donor
1
Heavy Atom Count
14
MDL Number
MFCD00092921
Monoisotopic Mass
183.104799g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
2
Signal Word
Warning
XLogP3
3.9
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