N-(3-bromophenyl)pyrrolidin-3-amine
Basic information
- CAS
1379367-65-3- Standard SMILES
Brc1cccc(NC2CCNC2)c1- InChIKey
XIWRQCZKFYOREP-UHFFFAOYSA-N- Molecular formula
- C10H13BrN2
- Average molar mass
- 241.13 g/mol
- Monoisotopic mass
- 240.02621
Names & identifiers
- Preferred name
- N-(3-bromophenyl)pyrrolidin-3-amine
- IUPAC
- N-(3-bromophenyl)pyrrolidin-3-amine
- English name
- N-(3-bromophenyl)pyrrolidin-3-amine
- Molecular formula
- C10H13BrN2
- Molecular weight
- 241.13
Names & synonyms
N-(3-bromophenyl)pyrrolidin-3-amine1379367-65-3RefChem:826264860-065-3SCHEMBL21460361EFC36765AKOS015996494CS-0238071EN300-189641G488993-Pyrrolidinamine, N-(3-bromophenyl)-
Database identifiers
- CAS
1379367-65-3- PubChem CID
- 66545628
- EC Number
- 860-065-3
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 349.5 · 349.5±37.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- pka
- 9.85 · 9.85±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H302-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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