4-Heptanamine (HCID 38665)

Names & identifiers

Preferred name: 4-Heptanamine
IUPAC: heptan-4-amine
English name: 4-Heptylamine
Molecular formula: C7H17N
Molecular weight: 115.22

Names & synonyms

4-Heptylamine4-Heptanamine16751-59-0EINECS 240-814-5BRN 16971574-04-00-00745 (Beilstein Handbook Reference)DTXSID5066116RefChem:99077DTXCID4035380CLJMMQGDJNYDER-UHFFFAOYSA-Nheptan-4-amine4-Aminoheptane

Show more names

4-Heptylamine>1-propyl-butylamin4-Aminoheptane 97%heptan-4-ylazanium chloride

1-Propylbutylamine1-PropylbutanamineButylamine, 1-propyl-MFCD00014814(1-propylbutyl)amineheptan-4-amine hydrochlorideSCHEMBL284709hept-4-ylamine

Database identifiers

CAS: 16751-59-0
PubChem CID: 38665
DTXSID: DTXSID5066116
UNII: 7BR4UPN25Q
EC Number: 240-814-5
Nikkaji: J208.599B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 37.7

Physicochemical properties

Melting point: -19 °C · -19°C (estimate)
Boiling point: 140 °C · 140°C
Density: 0 · 0,77 g/cm3
refractive index: 1.417 to · 1.4170 to 1.4190
pka: 11.04 · 11.04±0.35(Predicted)
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 0.77 · 0.77
InChI: InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3
InChIKey: CLJMMQGDJNYDER-UHFFFAOYSA-N
SMILES: CCCC(N)CCC
CAS DataBase Reference: 16751 · 16751-59-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 4 · 4-Heptanamine (16751-59-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 314 · H314-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Hazard Codes: Xn
Risk Statements: 10 · 10-34-43-22
Safety Statements: 16 · 16-26-37/39-53
RIDADR: 2733 · 2733
WGK Germany: 3 · 3
RTECS: 6025000 · EO6025000
TSCA: TSCA listed
HazardClass: 3 · 3/8
PackingGroup: III
HS Code: 2921199990 · 2921199990
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.

Danger

H225 (11.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 18-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32963

Hazard Classes and CategoriesFlam. Liq. 2 (11.1%)

Safety data

wgk: 3
tsca: TSCA listed
rtecs: EO6025000
ridadr: 2733
hs_code: 2921199990
risk_code: 10-34-43-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 16-26-37/39-53
hazard_class: 3/8
packing_group: III
Hazard statements: H314-H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405