tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamate;hydrochloride

Catalog No: FT-0773224

CAS No: 99306-64-6

Chemical Name: tert-butyl N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamate;hydrochloride
Molecular Formula: C17H27ClN6O5
Molecular Weight: 430.9 g/mol
InChI Key: OUVONNGVXPOXGB-ZOWNYOTGSA-N
InChI: InChI=1S/C17H26N6O5.ClH/c1-17(2,3)28-16(25)22-13(5-4-10-20-15(18)19)14(24)21-11-6-8-12(9-7-11)23(26)27;/h6-9,13H,4-5,10H2,1-3H3,(H,21,24)(H,22,25)(H4,18,19,20);1H/t13-;/m0./s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

Bolling_Point:	664.3ºC at 760 mmHg
CAS:	99306-64-6
MF:	C17H27ClN6O5
Density:	N/A
Melting_Point:	N/A
Product_Name:	(S)-tert-Butyl (5-guanidino-1-((4-nitrophenyl)amino)-1-oxopentan-2-yl)carbamate hydrochloride
Flash_Point:	355.5ºC
FW:	430.88600

MF:	C17H27ClN6O5
LogP:	4.66990
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :5 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :9 ', '5. Isotope Atom Count :12 ', '6. TPSA 178 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :572 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，001mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）-12 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Exact_Mass:	430.17300
Bolling_Point:	664.3ºC at 760 mmHg
Flash_Point:	355.5ºC
PSA:	175.15000
FW:	430.88600