HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

3-Benzyl-3-azabicyclo(3.1.0)hexan-6-amine dihydrochloride

HCID 71756572
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1394662-71-5
Standard SMILES
Cl.Cl.NC1C2CN(Cc3ccccc3)CC12
InChIKey
XKVAZSJXUCXBHX-UHFFFAOYSA-N
Molecular formula
C12H18Cl2N2
Average molar mass
261.19 g/mol
Monoisotopic mass
260.084704

Names & identifiers

Preferred name
3-Benzyl-3-azabicyclo(3.1.0)hexan-6-amine dihydrochloride
IUPAC
3-benzyl-3-azabicyclo[3.1.0]hexan-6-amine;dihydrochloride
English name
3-Benzyl-3-azabicyclo[3.1.0]hexan-6-amine dihydrochloride
Molecular formula
C12H17ClN2
Molecular weight
224.73

Names & synonyms

3-benzyl-3-azabicyclo[3.1.0]hexan-6-amine dihydrochloride1394662-71-53-Benzyl-3-azabicyclo(3.1.0)hexan-6-amine dihydrochlorideRefChem:497985858-334-53-benzyl-3-azabicyclo[3.1.0]hexan-6-amine;dihydrochlorideMFCD22392162AKOS027251775PS-18038SY140221CS-0222654EN300-112097
Show more names
3-BENZYL-3-AZABICYCLO[3.1.0]HEXAN-6-AMINE 2HCL
3-benzyl-3-azabicyclo[3.1.0]hexan-6-aminedihydrochlorideDJD39547UFC662716-Amino-3-benzyl-3-azabicyclo[3.1.0]hexaF6449863-BenZyl-3-aZabicyclo[3,1,0]hexan-6-amine dihydrochloride6-Amino-3-benzyl-3-azabicyclo[3.1.0]hexane Dihydrochloriderac-(1R,5S,6R)-3-Benzyl-3-azabicyclo[3.1.0]hexan-6-amine dihydrochloride

Database identifiers

CAS
1394662-71-5
PubChem CID
71756572
EC Number
858-334-5

Properties

Computed structural propertiesFilling in

Topological polar surface area
29.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
198

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes