Etomidate Impurity 50

CAT: 1299-RM-E201350-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-E201350-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

5933-40-4

Synonyms

N-Methyl- (R) -α- methylbenzylamine; N-Methyl-N- ((1R) -1-phenylethyl) amine; R- (+) -N, α-Dimethylbenzylamine; (R) -N-methyl-1-phenylethan-1-amine

Molecular Formula

C9H13N

Molecular Weight

135.21

Target Alternative Name

Etomidate

Product Name Synonym

N-Methyl- (R) -α- methylbenzylamine; N-Methyl-N- ((1R) -1-phenylethyl) amine; R- (+) -N, α-Dimethylbenzylamine; (R) -N-methyl-1-phenylethan-1-amine

Chemical Information

(R)-(+)-N-Methyl-1-phenylethylamine

See also: (R)-(+)-N Alpha-dimethylbenzylamine (annotation moved to); N-Methyl-1-phenylethylamine (annotation moved to).

CAS Number	5933-40-4
PubChem CID	2060888
IUPAC Name	(1R)-N-methyl-1-phenylethanamine
Molecular Formula	C9H13N
Molecular Weight	135.21
XLogP	1.7
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	84

SMILES

C[C@H](C1=CC=CC=C1)NC

InChI

InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m1/s1

InChIKey

RCSSHZGQHHEHPZ-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 5933-40-4

CID: 2060888

Formula: C9H13N

MW: 135.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.21
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	135.104799419
Monoisotopic Mass	135.104799419
Topological Polar Surface Area	12 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	84.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes