Boc-His-OMe

CAT: 0607-BA9382-10000Size: 10 gDry Ice: NoHazardous: No

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CAT#:0607-BA9382-10000Size:10 g

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

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CAS Number

2488-14-4

Form

A solid

Molecular Formula

C12H19N3O4

Molecular Weight

269.30

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Nalpha-Boc-L-histidine methyl ester

CAS Number	2488-14-4
PubChem CID	7017200
IUPAC Name	methyl (2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Molecular Formula	C12H19N3O4
Molecular Weight	269.30
XLogP	1
Topological Polar Surface Area	93.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	19
Formal Charge	0
Complexity	327

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)OC

InChI

InChI=1S/C12H19N3O4/c1-12(2,3)19-11(17)15-9(10(16)18-4)5-8-6-13-7-14-8/h6-7,9H,5H2,1-4H3,(H,13,14)(H,15,17)/t9-/m0/s1

InChIKey

RWEVEEORUORBAX-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 2488-14-4

CID: 7017200

Formula: C12H19N3O4

MW: 269.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.30
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	269.13755610
Monoisotopic Mass	269.13755610
Topological Polar Surface Area	93.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	327
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

Catalog	Name
BA9300-500000	Boc-Ser-OMe
BA9385-100000	Boc-Asp-OMe
BA9472-500000	Boc-Ala-OMe
BA9475-500000	Boc-Gly-OMe
A6625-5000	Boc-Tyr-Ome.HCl
A6625-25000	Boc-Tyr-Ome.HCl
A9029-5	Boc-Asp(OMe)-fluoromethyl ketone
A9029-10	Boc-Asp(OMe)-fluoromethyl ketone
BA2334-10	MMAF-OMe
BA2334-100	MMAF-OMe