DL-Citrulline

CAT: 0024-sc-268966Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-268966Size:5 g

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CAS Number

627-77-0

Chemical Information

Citrulline, (+-)-

Citrulline is the parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N5-position. It has a role as a hapten and a Daphnia magna metabolite. It is a conjugate acid of a citrullinate.

CAS Number	627-77-0
PubChem CID	833
IUPAC Name	2-amino-5-(carbamoylamino)pentanoic acid
Molecular Formula	C6H13N3O3
Molecular Weight	175.19
XLogP	-4.3
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	171

SMILES

C(CC(C(=O)O)N)CNC(=O)N

InChI

InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)

InChIKey

RHGKLRLOHDJJDR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 627-77-0

CID: 833

Formula: C6H13N3O3

MW: 175.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	175.19
XLogP3	-4.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	175.09569129
Monoisotopic Mass	175.09569129
Topological Polar Surface Area	118 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171
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

Related Products

Catalog	Name
sc-483525	L-Citrulline DL-Malate (1:1)
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sc-255053	D-Citrulline
sc-218632	L-Citrulline-d6
sc-391146	DL-Leu-DL-Phe
sc-487277	DL-Leucylglycyl-DL-phenylalanine
sc-396833	DL-Ala-DL-Ala
sc-487282	DL-Leucyl-DL-valine
sc-391146A	DL-Leu-DL-Phe

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C5806-05	Citrulline, DL- (DL-Citrulline) discontinued
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453256-01	L-Citrulline DL-Malate
HY-N0391A-01	L-Citrulline (DL-malate)
C5791-01	L-Citrulline DL-Malate 1:1
FC15789-01	L-Citrulline DL-malate - 1:1
C5790-01	L-Citrulline DL-Malate 2:1
MBS614161-01	Citrulline
YLA0155CT-01	Cat Citrulline (Citrulline) ELISA Kit

DL-Citrulline

Chemical Information

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