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Basic Information
CAS No.: 99310-01-7
Name: N-Boc-N'-benzyloxymethyl-L-histidine
Article Data: 5
Molecular Structure:
Molecular Structure of 99310-01-7 (N-Boc-N'-benzyloxymethyl-L-histidine)
Formula: C19H25N3O5
Molecular Weight: 375.425
Synonyms: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid
Density: 1.21g/cm3
Boiling Point: 595.3oC at 760 mmHg
Flash Point: 313.8oC
PSA: 102.68000
LogP: 2.96870
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Specification

The N-Boc-N'-benzyloxymethyl-L-histidine is an organic compound with the formula C19H25N3O5. The systematic name of this chemical is 1-[(benzyloxy)methyl]-N-(tert-butoxycarbonyl)-D-histidine. With the CAS registry number 99310-01-7, it is also named as Nα-Boc-N(im)-benzyloxymethyl-D-histidine. The product's category is Amino Acids. Besides, it is should be stored in -15°C.

Physical properties about this chemical are: (1)ACD/LogP: 2.26; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.35; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 8; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 10; (9)Polar Surface Area: 82.89Å2; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 100.38 cm3; (12)Molar Volume: 309.1 cm3; (13)Polarizability: 39.79×10-24cm3; (14)Surface Tension: 44.7 dyne/cm; (15)Density: 1.21 g/cm3; (16)Flash Point: 313.8 °C; (17)Enthalpy of Vaporization: 93.29 kJ/mol; (18)Boiling Point: 595.3 °C at 760 mmHg; (19)Vapour Pressure: 5.11E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ncn(c1)COCc2ccccc2
(2)InChI: InChI=1/C19H25N3O5/c1-19(2,3)27-18(25)21-16(17(23)24)9-15-10-22(12-20-15)13-26-11-14-7-5-4-6-8-14/h4-8,10,12,16H,9,11,13H2,1-3H3,(H,21,25)(H,23,24)/t16-/m1/s1 
(3)InChIKey: IEAOAWZLUGOPJX-MRXNPFEDBT 
(4)Std. InChI: InChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)21-16(17(23)24)9-15-10-22(12-20-15)13-26-11-14-7-5-4-6-8-14/h4-8,10,12,16H,9,11,13H2,1-3H3,(H,21,25)(H,23,24)/t16-/m1/s1