Hazard Codes | Xi |
Risk Statements | 36/37/38 |
Safety Statements | 26-36 |
WGK Germany | 3 |
Systematic Name: (2R)-1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid
Synonyms of (R)-(+)-N-Boc-2-piperidinecarboxylic acid (CAS NO: 28697-17-8): 1,2-Piperidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (2R)- ; N-Boc-D-pipecolic acid ; (R)-(+)-1-(tert-Butoxycarbonyl)-2-piperidinecarboxylic acid
CAS NO: 28697-17-8
Molecular Formula: C11H19NO4
Molecular Weight: 229.27
Molecular Structure:
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 55.84 Å2
Index of Refraction: 1.496
Molar Refractivity: 57.54 cm3
Molar Volume: 196.9 cm3
Surface Tension: 44.7 dyne/cm
Density: 1.164 g/cm3
Flash Point: 167.4 °C
Enthalpy of Vaporization: 65.71 kJ/mol
Boiling Point: 353.2 °C at 760 mmHg
Vapour Pressure: 6.15E-06 mmHg at 25°C
Melting point: 116-119 °C(lit.)
Alpha: 68 º (c=1 in acetic acid)
Storage temp: Store at RT.
Appearance: white to light yellow crystal powder
SMILES: O=C(OC(C)(C)C)N1[C@@H](C(=O)O)CCCC1
InChI: InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
InChIKey: JQAOHGMPAAWWQO-MRVPVSSYBV
Std. InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1
Std. InChIKey: JQAOHGMPAAWWQO-MRVPVSSYSA-N
Product Categories of (R)-(+)-N-Boc-2-piperidinecarboxylic acid (CAS NO: 28697-17-8): Unusual amino acids;chiral;Amino Acids
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: (R)-(+)-N-Boc-2-piperidinecarboxylic acid (CAS NO: 28697-17-8) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
HazardClass: IRRITANT
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