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398491-59-3

Basic Information
CAS No.: 398491-59-3
Name: 5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE
Article Data: 11
Molecular Structure:
Molecular Structure of 398491-59-3 (5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE)
Formula: C10H16N4O2
Molecular Weight: 224.26
Synonyms: 3-Amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylicacid tert-butyl ester;3-Amino-5-(tert-butoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole;5-Boc-3-amino-4,6-dihydropyrrolo[3,4-c]pyrozole;
Density: 1.315 g/cm3
Melting Point: 167-169 °C(Solv: isopropanol (67-63-0))
Boiling Point: 433.038 °C at 760 mmHg
Flash Point: 215.694 °C
PSA: 84.24000
LogP: 1.76170
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    R&D enterprises have their own stock in stock Appearance:To be subject to the object Package:Customized Application:Pharmaceutical Intermediates Transportation:Air Port:Shanghai;Guangzhou

    Nanjing Norris Pharm Technology Co., Ltd., born in July, 2012, is a new company registered in Nanjing, Jiangsu Province,China. Norris grows tremendously since 2012.Till Dec.31,2015

  • Nanjing Norris Pharm Technology Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-13901585132

    Address:2 Qiande Road, Jiangning sciencepark Hi-Tech Zone, Nanjing, P.R.China

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  • 398491-59-3

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    398491-59-3

    398491-59-3

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    Nanjing Chemlin Chemical Industry Co., Ltd was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu Province with 1200 square meters’ R&D center. Our R&D center has a well

    Nanjing Chemlin Chemical Industry Co., Ltd was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu P

  • Nanjing Chemlin Chemical Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-25-83697070

    Address:Rm.902 Longyin Plaza, No. 217 Zhongshan Rd.(N) Nanjing 210009,China

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Specification

The IUPAC name of tert-Butyl 3-amino-4,6-dihydropyrrolo[3,4-C]pyrozole-5-carboxylate is tert-butyl 3-amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate. With the CAS registry number 398491-59-3, it is also named as 5-Boc-3-amino-4,6-dihydropyrrolo[3,4-c]pyrozole. The product's category is Chiral Chemicals. In addition, its molecular formula is C10H16N4O2 and molecular weight is 224.26.

The other characteristics of tert-Butyl 3-amino-4,6-dihydropyrrolo[3,4-C]pyrozole-5-carboxylate can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14.8; (5)ACD/KOC (pH 7.4): 17.491; (6)#H bond acceptors: 6; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 84.24 Å2; (10)Index of Refraction: 1.608; (11)Molar Refractivity: 58.957 cm3; (12)Molar Volume: 170.594 cm3; (13)Polarizability: 23.372×10-24cm3; (14)Surface Tension: 65.751 dyne/cm; (15)Density: 1.315 g/cm3; (16)Flash Point: 215.694 °C; (17)Enthalpy of Vaporization: 68.892 kJ/mol; (18)Boiling Point: 433.038 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)(C)OC(=O)N1Cc2c([nH]nc2N)C1
(2)InChI: InChI=1/C10H16N4O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h4-5H2,1-3H3,(H3,11,12,13)
(3)InChIKey: BEVRTOCHMXNPLY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h4-5H2,1-3H3,(H3,11,12,13)
(5)Std. InChIKey: BEVRTOCHMXNPLY-UHFFFAOYSA-N