Cycloheptylamine
Basic information
- CAS
5452-35-7- Standard SMILES
NC1CCCCCC1- InChIKey
VXVVUHQULXCUPF-UHFFFAOYSA-N- Molecular formula
- C7H15N
- Average molar mass
- 113.2 g/mol
- Monoisotopic mass
- 113.12044948
Names & identifiers
- Preferred name
- Cycloheptylamine
- IUPAC
- cycloheptanamine
- English name
- Cycloheptylamine
- Molecular formula
- C7H15N
- Molecular weight
- 113.2
Names & synonyms
CycloheptylamineCycloheptanamine5452-35-794Y6LRJ7TCNSC-18962DTXSID7063899RefChem:580317DTXCID4041735226-693-1AminocycloheptaneN-cycloheptylamine1-cycloheptylamine
Show more names
NSC 18962cycoheptylamineAKOS BBS-000035951-CycloheptanamineTIMTEC-BB SBB004311Cycloheptylamine >Cycloheptylamine,99%
cycloheptanyl amineMFCD00004153NCIOpen2_000090(2-CYCLOHEPTYL)AMINEVXVVUHQULXCUPF-UHFFFAOYSA-SZ1cycloheptyl amineCycloheptanamine-
Database identifiers
- CAS
5452-35-7- PubChem CID
- 2899
- DTXSID
DTXSID7063899- ChEMBL
CHEMBL1171864- UNII
- 94Y6LRJ7TC
- EC Number
- 226-693-1
- Nikkaji
- J217H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 53.4
Physicochemical properties
- Melting point
- -18 °C · -18°C
- Boiling point
- 170 °C · 170 °C
- Density
- 0.89 · 0.89
- refractive index
- 1.47 · 1.47
- Flash point
- 47 °C · 47 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 11.04 · 11.04±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 0.887 · 0.887
- BRN
- 1847543 · 1847543
- InChI
- InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
- InChIKey
- VXVVUHQULXCUPF-UHFFFAOYSA-N
- SMILES
- C1(N)CCCCCC1
- CAS DataBase Reference
- 5452 · 5452-35-7(CAS DataBase Reference)
- FDA UNII
- 94 Y6LRJ7TC · 94Y6LRJ7TC
- EPA Substance Registry System
- Cycloheptanamine (5452-35-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-37/38
- Safety Statements
- 23 · 23
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29213099 · 29213099
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
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
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Danger
H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29213099
- risk_code
- 10-37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 23
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCycloheptanamine: ACTIVE
Applications
UsesCycloheptaamine can be used to synthesize various nitrogen-containing organic compounds, such as pharmaceuticals, pesticides, and dyes.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
199 records
Compound notes
Loading…