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CAS No.: | 219511-71-4 |
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Name: | BOC-GUANIDINE |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C6H13N3O2 |
Molecular Weight: | 159.188 |
Synonyms: | Carbamicacid, (aminoiminomethyl)-, 1,1-dimethylethyl ester (9CI);N-Boc-guanidine;N-tert-Butoxycarbonylguanidine;tert-Butoxycarbonylguanidine; |
Density: | 1.189 g/cm3 |
Melting Point: | 170-175℃ |
Boiling Point: | 259.007 °C at 760 mmHg |
Flash Point: | 110.444 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 36-60 |
PSA: | 88.20000 |
LogP: | 1.59550 |
Molecular Structure of Carbamic acid,N-(aminoiminomethyl)-, 1,1-dimethylethyl ester (CAS No.219511-71-4):
Molecular Formula: C6H13N3O2
Molecular Weight: 159.1863
IUPAC Name: tert-Butyl N-(diaminomethylidene)carbamate
CAS No: 219511-71-4
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 3
Polar Surface Area: 45.14 Å2
Index of Refraction: 1.498
Molar Refractivity: 39.29 cm3
Molar Volume: 133.8 cm3
Surface Tension: 40.3 dyne/cm
Density: 1.18 g/cm3
Flash Point: 110.4 °C
Enthalpy of Vaporization: 49.66 kJ/mol
Boiling Point: 259 °C at 760 mmHg
Vapour Pressure: 0.0133 mmHg at 25°C
Product Categories: N-BOC
Canonical SMILES: CC(C)(C)OC(=O)N=C(N)N
InChI: InChI=1S/C6H13N3O2/c1-6(2,3)11-5(10)9-4(7)8/h1-3H3,(H4,7,8,9,10)
InChIKey: UMOZLQVSOVNSCA-UHFFFAOYSA-N
Carbamic acid,N-(aminoiminomethyl)-, 1,1-dimethylethyl ester (CAS No.219511-71-4), it also can be called tert-Butyl carbamimidoylcarbamate ; Boc-guanidine .