CAS 28292-43-5 5-Methyl-2-hexylamine (HCID 34204)

Names & identifiers

Preferred name: 5-Methyl-2-hexylamine
IUPAC: 5-methylhexan-2-amine
English name: 2-Amino-5-methylhexane
Molecular formula: C7H17N
Molecular weight: 115.22

Names & synonyms

2-Amino-5-methylhexane1,4-Dimethylpentylamine2-Hexanamine, 5-methyl-5-Methyl-2-hexylaminePENTYLAMINE, 1,4-DIMETHYL-EINECS 248-941-8RJ36ZF28PWNSC 73708BRN 1731716NSC-73708DTXSID60885416RefChem:537014

Show more names

2-aminoisoheptane5-methyl-2-heTIMTEC-BB SBB008544RARECHEM AN KC 02285-methyl-2-hexanaminN N-DIMETHYLAMYLAMINE

DTXCID601019527(+-)-2-AMINO-5-METHYLHEXANE248-941-828292-43-55-methylhexan-2-amineMFCD000148135-methyl-2-hexanamine(2S)-5-methylhexan-2-amine

Database identifiers

CAS: 28292-43-5
PubChem CID: 34204
DTXSID: DTXSID60885416
UNII: RJ36ZF28PW
EC Number: 248-941-8
Nikkaji: J49.980C

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 50.3

Experimental & physicochemical properties

DrugsDEA NFLIS-Drug Category -> Stimulants

Physicochemical properties

Melting point: -19 °C · -19°C (estimate)
Boiling point: 128 · 128-129 °C (lit.)
Density: 0.76 g/mL · 0.760 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.416
Flash point: 28 °C · 28°C
form: liquid
pka: 10.98 · 10.98±0.35(Predicted)
BRN: 1731716 · 1731716
InChI: InChI=1S/C7H17N/c1-6(2)4-5-7(3)8/h6-7H,4-5,8H2,1-3H3
InChIKey: IZCBXLKODYZSDJ-UHFFFAOYSA-N
SMILES: CC(N)CCC(C)C
CAS DataBase Reference: 28292 · 28292-43-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 36 ZF28PW · RJ36ZF28PW
NIST Chemistry Reference: 2 · 2-Hexanamine, 5-methyl-(28292-43-5)
EPA Substance Registry System: 2 · 2-Hexanamine, 5-methyl- (28292-43-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H314-H318
Precautionary statements: 210 · P210-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2734 · UN 2734 8/PG 2
WGK Germany: 3 · 3
RTECS: 875000 · SC0875000
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 Skin · Flam. Liq. 3Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: SC0875000
ridadr: UN 2734 8/PG 2
risk_code: 10-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226-H314-H318
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
Precautionary statements: P210-P260h-P303+P361+P353-P405-P501a-P280-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Hexanamine, 5-methyl-: ACTIVE

Applications

Uses2-Amino-5-methylhexane is an aliphatic amine used in the preparation of pyridines and other cyclic nitrogen based compounds for use ranging from antiparasitics to calcium channel inhibitors.

Upstream & downstream products

Upstream raw materials

2-Hexanamine, N-(1,4-dimethylpentyl)-5-methyl-5-Methyl-2-hexanol 5-Methyl-2-hexanone 4-Methylvaleric acid

Suppliers75 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

郑州格镭生物科技有限公司19903857099; 19937938981

湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Hebei shuoxi biotechnology co. LTD+8613081092107

Related reactions

4 records

New reaction record

HRID 187521As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1066119As reactantuspto-grants-2001_06

HRID 1149667As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1763784As reactantuspto-grants-1978_09

Compound notes

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Basic information