Metaraminol Impurity 11

CAT: 1596-AR-M04335-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-M04335-01Size:10 Units

Selected

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

Quick Request Actions

CAS Number

1142-20-7

Synonyms

((benzyloxy) carbonyl) -L-alanine

Molecular Formula

C11H13NO4

Molecular Weight

223.23

API Name

Metaraminol bitartrate

Chemical Information

N-carbobenzyloxyalanine

structure given in first source

CAS Number	1142-20-7
PubChem CID	736104
IUPAC Name	(2S)-2-(phenylmethoxycarbonylamino)propanoic acid
Molecular Formula	C11H13NO4
Molecular Weight	223.22
XLogP	1.4
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	248

SMILES

C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1

InChIKey

TYRGLVWXHJRKMT-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 1142-20-7

CID: 736104

Formula: C11H13NO4

MW: 223.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.22
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	223.08445790
Monoisotopic Mass	223.08445790
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	248
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