[1-(4-Chlorophenyl)cyclopropyl]methanamine

HCID 4120166

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Basic information

CAS: 69385-29-1
Standard SMILES: NCC1(c2ccc(Cl)cc2)CC1
InChIKey: VXHKUEKHNVGRTP-UHFFFAOYSA-N
Molecular formula: C10H12ClN
Average molar mass: 181.66 g/mol
Monoisotopic mass: 181.0658271

Names & identifiers

Preferred name: [1-(4-Chlorophenyl)cyclopropyl]methanamine
IUPAC: [1-(4-chlorophenyl)cyclopropyl]methanamine
English name: C-[1-(4-CHLORO-PHENYL)-CYCLOPROPYL]-METHYLAMINE
Molecular formula: C10H12ClN
Molecular weight: 181.66

Names & synonyms

(1-(4-Chlorophenyl)cyclopropyl)methanamine[1-(4-chlorophenyl)cyclopropyl]methanamineRefChem:391747849-789-069385-29-11-[1-(4-chlorophenyl)cyclopropyl]methanamineMFCD062130951-(4-CHLOROPHENYL)-CYCLOPROPANEMETHANAMINE1-(4-Chlorophenyl)cyclopropane-1-methanamineC-[1-(4-CHLORO-PHENYL)-CYCLOPROPYL]-METHYLAMINESY1042631-[1-(4-chlorophenyl)cyclopropyl]methanamine hydrobromide

Show more names

KML-8OTAVA-BB 7020542747Cyclopropanemethanamine, 1-(4-chlorophenyl)-{[1-(4-chlorophenyl)cyclopropyl]methyl}amine hydrobromide1-[1-(4-chlorophenyl)cyclopropyl]methanamine(SALTDATA: FREE)

[(4-chlorophenyl)cyclopropyl]methylamineSCHEMBL1672926RARECHEM AL BW 1128DTXSID10399538VXHKUEKHNVGRTP-UHFFFAOYSA-NALBB-025329SBB072482STK664130

Database identifiers

CAS: 69385-29-1
PubChem CID: 4120166
DTXSID: DTXSID10399538
EC Number: 849-789-0

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 157

Physicochemical properties

Boiling point: 266.5 · 266.5±23.0 °C(Predicted)
Density: 1.19 · 1.190±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 10.36 · 10.36±0.29(Predicted)
InChI: 1S/C10H12ClN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-7,12H2
InChIKey: VXHKUEKHNVGRTP-UHFFFAOYSA-N
SMILES: ClC1=CC=C(C=C1)C2(CN)CC2
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HS Code: 2921490090 · 2921490090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.