CAS 594-39-8 2-Butanamine, 2-methyl- (HCID 68986)

Overview

2-methylbutan-2-amine is a primary aliphatic amine that is butan-2-amine substituted by a methyl group at position 2. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

Names & identifiers

Preferred name: 2-Butanamine, 2-methyl-
IUPAC: 2-methylbutan-2-amine
English name: tert-Amylamine
Molecular formula: C5H13N
Molecular weight: 87.16

Names & synonyms

tert-Amylaminetert-Pentylamine2-Butanamine, 2-methyl-EINECS 209-839-9DTXSID5060485RefChem:467340DTXCID4042620209-839-92-methylbutan-2-amine594-39-81,1-Dimethylpropylaminet-Amylamine

Show more names

tert-C5H11NH2t-Pentylaminetert-Amylamine,98%tert-Amylamine 98%tert-Amylamine >TERT-1-AMINOPENTANEtert-Pentylamine,98%

2-Amino-2-methylbutaneMFCD000080562-methyl-2-butanaminetert-pentyl aminetert-pentyl-amine1,1-dimethyl-n-propylamine1,1-dimethyl-1-propylamineCHEBI:84236

Database identifiers

CAS: 594-39-8
PubChem CID: 68986
DTXSID: DTXSID5060485
ChEBI: CHEBI:84236
UNII: W4R8J7S46R
EC Number: 209-839-9
Nikkaji: J6.774A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 39.2

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.9

Physicochemical properties

Melting point: -105 °C · -105°C
Boiling point: 77 °C · 77 °C(lit.)
Density: 0.746 g/mL · 0.746 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.3996(lit.)
Flash point: 30 °F · 30 °F
storage temp.: Flammables area
Water Solubility: Soluble in water
form: Liquid
pka: 10.85 · 10.85(at 19℃)
color: Clear yellow to brownish
InChI: InChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3
InChIKey: GELMWIVBBPAMIO-UHFFFAOYSA-N
SMILES: CC(C)(N)CC
CAS DataBase Reference: 594 · 594-39-8(CAS DataBase Reference)
EPA Substance Registry System: 2 · 2-Butanamine, 2-methyl- (594-39-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS06
Signal word: Danger
Hazard statements: 225 · H225-H301-H314
Precautionary statements: 210 · P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: F,C,T
Risk Statements: 11 · 11-34-25
Safety Statements: 16 · 16-26-27-36/37/39-45
RIDADR: 1106 · UN 1106 3/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29211999 · 29211999
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 OralFlam · Acute Tox. 3 OralFlam. Liq. 2Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1106 3/PG 2
hs_code: 29211999
risk_code: 11-34-25
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS06
hazard_code: F,C,T
safety_code: 16-26-27-36/37/39-45
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H301-H314
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 3 OralFlam. Liq. 2Skin Corr. 1B
Precautionary statements: P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Butanamine, 2-methyl-: ACTIVE

Applications

Usestert-Amylamine was used as a substitute for t-butylamino substituent in cyanobenzylamine derivative.

Upstream & downstream products

Downstream products

2-Methyl-2-butanethiol 1H-Pyrrole-2,5-dione, 1-(1,1-dimethylpropyl)-2-Methyl-4-phenylbutan-2-amine

Suppliers62 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Additional notes

DefinitionChEBI: A primary aliphatic amine that is butan-2-amine substituted by a methyl group at position 2. Metabolite observed in cancer metabolism.