Basic information
- CAS
52235-55-9- Standard SMILES
NCc1cccc(CNC(=O)O)c1- InChIKey
HYKFCGUBCWWEBA-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- Carbamic acid, N-[[3-(aminomethyl)phenyl]methyl]-
- IUPAC
- [3-(aminomethyl)phenyl]methylcarbamic acid
- English name
- [[3-(aminomethyl)phenyl]methyl]carbamic acid
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
Carbamic acid, [[3-(aminomethyl)phenyl]methyl]-m-Xylylenediamine carbamateEINECS 257-767-1Carbamic acid, ((3-(aminomethyl)phenyl)methyl)-Carbamic acid, N-((3-(aminomethyl)phenyl)methyl)-Carbamic acid, N-[[3-(aminomethyl)phenyl]methyl]-RefChem:57396652235-55-9[3-(aminomethyl)phenyl]methylcarbamic acid{[3-(Aminomethyl)phenyl]methyl}carbamic acid((3-(Aminomethyl)phenyl)methyl)carbamic acidJY6MTU82RX
Show more names
(3-(aminomethyl)benzyl)carbamic acid[[3-(aminomethyl)phenyl]methyl]carbamic acid
SCHEMBL1500540DTXSID6068721SCHEMBL41976183HYKFCGUBCWWEBA-UHFFFAOYSA-NDA-05216NS00022289N-[[3-(Aminomethyl)phenyl]methyl]carbamic acid
Database identifiers
- CAS
52235-55-9- PubChem CID
- 104129
- DTXSID
DTXSID6068721- UNII
- JY6MTU82RX
- EC Number
- 257-767-1
- Nikkaji
- J279.489F
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- EPA Substance Registry System
- 3 · Carbamic acid, [[3-(aminomethyl)phenyl]methyl]- (52235-55-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamic acid, N-[[3-(aminomethyl)phenyl]methyl]-: INACTIVE
Suppliers2 total
德拜科技有限公司00852-2521 1836
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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