Basic information
- CAS
152120-55-3- Standard SMILES
O=C(/N=C(\NC(=O)OCc1ccccc1)n1cccn1)OCc1ccccc1- InChIKey
NRBUVVTTYMTSKM-UHFFFAOYSA-N- Molecular formula
- C20H18N4O4
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.13280507
Overview
See other relationships...
Names & identifiers
- Preferred name
- benzyl (NE)-N-[phenylmethoxycarbonylamino(pyrazol-1-yl)methylidene]carbamate
- IUPAC
- benzyl (NE)-N-[phenylmethoxycarbonylamino(pyrazol-1-yl)methylidene]carbamate
- English name
- N,N'-Bis-Z-1-guanylpyrazole
- Molecular formula
- C20H18N4O4
- Molecular weight
- 378.39
Names & synonyms
N,N'-BIS-Z-1-GUANYLPYRAZOLEAKOS025312347GS-5901N,N'-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine, 97%benzyl N-[(1E)-{[(benzyloxy)carbonyl]amino}(1H-pyrazol-1-yl)methylidene]carbamateZ-PyrazolPyrazol(Z)2PYRAZOLE(Z)2Pyrazol(Z)2≥ 99% (HPLC)N,N'-Di-Cbz-1H-pyrazole-1-carbo1-[N,N'-(Di-Cbz)amidino]pyrazoleN,N'-DI-Z-1H-PYRAZOL-1-CARBAMIDINE
Show more names
N,N'-DI-Z-1H-PYRAZOLE-1-CARBAMIDINE
Database identifiers
- CAS
152120-55-3- PubChem CID
- 5861998
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Melting point
- 90 · 90-96 °C
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 6.66 · 6.66±0.46(Predicted)
- color
- White to Almost white
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C20H18N4O4/c25-19(27-14-16-8-3-1-4-9-16)22-18(24-13-7-12-21-24)23-20(26)28-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,25,26)
- InChIKey
- NRBUVVTTYMTSKM-UHFFFAOYSA-N
- SMILES
- C(/N1N=CC=C1)(\NC(=O)OCC1C=CC=CC=1)=N\C(=O)OCC1C=CC=CC=1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29331990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesN,N'-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Hangzhou Pharma & Chem Co., Ltd.+86-0571-87040515 +8613958180668 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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