D-His (Bzl) -OH

CAT: 0926-FN48686-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FN48686-01Size:250 mg

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CAS Number

2022956-35-8

Synonyms

Nim-Benzyl-D-histidine

MDL Number

MFCD00237096

Smiles

C1=CC=C (C=C1) CN2C=C (N=C2) CC (C (=O) O) N

Molecular Formula

C13H15N3O2

Molecular Weight

245.28 g/mol

Controlled

Chemical Information

H-D-His(bzl)-OH

CAS Number	2022956-35-8
PubChem CID	314478
IUPAC Name	2-amino-3-(1-benzylimidazol-4-yl)propanoic acid
Molecular Formula	C13H15N3O2
Molecular Weight	245.28
XLogP	-1.7
Topological Polar Surface Area	81.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	279

SMILES

C1=CC=C(C=C1)CN2C=C(N=C2)CC(C(=O)O)N

InChI

InChI=1S/C13H15N3O2/c14-12(13(17)18)6-11-8-16(9-15-11)7-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H,17,18)

InChIKey

NMXSWQMJOZUQKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2022956-35-8

CID: 314478

Formula: C13H15N3O2

MW: 245.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.28
XLogP3	-1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	245.116426730
Monoisotopic Mass	245.116426730
Topological Polar Surface Area	81.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B-3835.0001	Fmoc-D-His(Bzl)-OH
A-1325.0005	Boc-D-His(Bzl)-OH
F-2695.0005	H-D-His(Bzl)-OH
OR1102356-01	Boc-D-His (Bzl) -OH
4043043.0005	Fmoc-D-His (Bzl) -OH
E-1535.0005	Bzl-His(Bzl)-OH
4028762.0001	(Des-Gly¹⁰, D-His², D-His (Bzl) ⁶, Pro-NHEt⁹) -LHRH
2627-01	Boc-D-Ser (Bzl)
2624-01	Boc-D-Thr (Bzl)
4035442.0005	(Des-Gly¹⁰, D-His (Bzl) ⁶, Pro-NHEt⁹) -LHRH