Basic information
- CAS
90151-50-1- Standard SMILES
NC(N)=NCc1cccc(Br)c1- InChIKey
NQAHHMUBLBQHKO-UHFFFAOYSA-N- Molecular formula
- C8H10BrN3
- Average molar mass
- 228.09 g/mol
- Monoisotopic mass
- 227.00581
Names & identifiers
- Preferred name
- (76Br)-3-Bromobenzylguanidine
- IUPAC
- 2-[(3-bromophenyl)methyl]guanidine
- English name
- 3-Bromobenzylguanidinium sulfate
- Molecular formula
- C8H10BrN3
- Molecular weight
- 228.09
Names & synonyms
RefChem:346771(76Br)-3-Bromobenzylguanidine(m-Bromobenzyl)guanidine90151-50-11-(3-Bromobenzyl)guanidine2-[(3-bromophenyl)methyl]guanidineGUANIDINE, (m-BROMOBENZYL)-m-bromobenzylguanidineSCHEMBL4099500SCHEMBL15903395DTXSID101009183MFCD01724411
Show more names
M-BBG(m-bromobenzyl)-guanidin3-Bromobenzyl-guanidine hemisul3-Bromobenzylguanidinium sulfate3-BROMOBENZYLGUANIDINIUM SULPHATEN-[(3-Bromophenyl)methyl]guanidine3-BROMOBENZYL-GUANIDINE HEMISULFATEGuanidine, N-[(3-bromophenyl)methyl]-3-BROMOBENZYLGUANIDINIUM HEMISULPHATE
N-[(3-Bromophenyl)methyl]guanidinatoAKOS009158506AT34256SY340567
Database identifiers
- CAS
90151-50-1- PubChem CID
- 56044
- DTXSID
DTXSID101009183- Nikkaji
- J3.310.028K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 174 · 174-175°C (dec.)
- CAS DataBase Reference
- 90151 · 90151-50-1(CAS DataBase Reference)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2930909899 · 2930909899
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
- hs_code
- 2930909899
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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