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Chemical Product CAS:372-75-8L(+)-Citrulline

CAS:372-75-8
L(+)-Citrulline

  • CAS No:

    372-75-8
  • Name:

    L(+)-Citrulline
  • Molecular Formula:

    C6H13N3O3
  • Molecular Weight:

    175.19
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L(+)-Citrulline ( CASNO:372-75-8 )

Identification and Related Records
Name:
L(+)-Citrulline
CAS Registry number:
372-75-8
Synonyms:
L-Citrullin
L-Cit-OH
L-Citrulline
N5-(Aminocarbonyl)ornithine
L-Citrulline (Fermentation)
H-Cit-OH
.delta.-Ureidonorvaline
2-Amino-5-uredovaleric acid
Ngamma-carbamylornithine
delta-Ureidonorvaline
N~5~-(aminocarbonyl)ornithine
2-amino-5-(carbamoylamino)pentanoic acid
L-Citrulline
(2S)-2-amino-5-(carbamoylamino)pentanoic acid
Ornithine, N5-carbamoyl-, L- (8CI)
L-Ornithine, N5-(aminocarbonyl)-
Ornithine, N5-(aminocarbonyl)-
Citrulline, L-
Ornithine, N5-carbamoyl-, L-
Citrulline
L-Ornithine,N5-(aminocarbonyl)-
.alpha.-Amino-.delta.-ureidovaleric acid
N5-(Aminocarbonyl)-L-ornithine
alpha-Amino-delta-ureidovaleric acid
N(.delta.)-Carbamylornithine
EINECS(EC#):
206-759-6
Molecular Formula:
C6H13N3O3
Molecular Weight:
175.19
Inchi:
InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
Canonical SMILES:
C(CC(C(=O)O)N)CNC(=O)N
Chemical and Physical Properties
Appearance:
White to off-white crystalline powder
Density:
1.289 g/cm3
Melting Point:
214-216℃
Boiling Point:
386.7 °C at 760 mmHg
Refractive Index:
26 ° (C=8, 6mol/L HCl)
Flash Point:
187.7 °C
Alpha:
25.5 o (C=8, 6N HCL)
Water:
200 g/L (20℃)
Solubilities:
Appearance:White to off-white crystalline powder
Transport Information: OTH
Hazard Symbols:Not regulated UN NO.
particular:particular
Stability:
No data.
HS Code:
29241900
Storage temp:
Store at 0-5°C
Computed Properties:
Molecular Weight:175.18572 [g/mol]
Molecular Formula:C6H13N3O3
XLogP3:-4.3
H-Bond Donor:4
H-Bond Acceptor:4
Rotatable Bond Count:5
Tautomer Count:3
Exact Mass:175.095691
MonoIsotopic Mass:175.095691
Topological Polar Surface Area:118
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
Feature 3D Acceptor Count:3
Feature 3D Donor Count:3
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:157
Safety and Handling
Hazard Codes:
Not regulated UN NO.
Risk Statements:
R36/37/38
Safety Statements:
S24/25
Transport:
OTH
Use and Manufacturing
Usage:
A key intermediate in the urea cycle.
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