2-ethynylaniline

CAT: 1596-AR-E01759-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-E01759-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

52670-38-9

Synonyms

2-ethynylaniline

Molecular Formula

C8H7N

Molecular Weight

117.15

API Name

Erlotinib

Chemical Information

2-Ethynylaniline

structure in first source

CAS Number	52670-38-9
PubChem CID	4153905
IUPAC Name	2-ethynylaniline
Molecular Formula	C8H7N
Molecular Weight	117.15
XLogP	1.5
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	131

SMILES

C#CC1=CC=CC=C1N

InChI

InChI=1S/C8H7N/c1-2-7-5-3-4-6-8(7)9/h1,3-6H,9H2

InChIKey

ALQPJHSFIXARGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52670-38-9

CID: 4153905

Formula: C8H7N

MW: 117.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	117.15
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	117.057849228
Monoisotopic Mass	117.057849228
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	131
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-E01760-01	4-ethynylaniline
AR-E01718-01	Erlotinib Impurity (3-Ethynylaniline)
AR-E02326-01	2-Ethylaniline
AR-A06588-01	3-Ethylaniline
AR-A06626-01	N-Nitroso-N-Ethylaniline
AR-A06586-01	3-Chloro-4-ethylaniline
AR-B06674-01	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) Benzoate
AR-M03112	2,2,2-Trichloroethanol
AR-S09242-01	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]ethyl Methanesulfonate
AR-V01805-01	2- (2- (2-fluorophenyl) -2-oxoethyl) malononitrile