2-Pentanamine

HCID 12246

Notes Reactions

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Basic information

CAS: 41444-43-3
Standard SMILES: CCCC(C)N
InChIKey: IGEIPFLJVCPEKU-UHFFFAOYSA-N
Molecular formula: C5H13N
Average molar mass: 87.16 g/mol
Monoisotopic mass: 87.10479942

Names & identifiers

Preferred name: 2-Pentanamine
IUPAC: pentan-2-amine
English name: 2-AMINOPENTANE
Molecular formula: C5H13N
Molecular weight: 87.16

Names & synonyms

63493-28-72-Pentylamine2-Pentanamine1-METHYLBUTYLAMINEsec-Amylamine1-Methyl-n-butylamineButylamine, 1-methyl-DL-2-AminopentaneMethylpropylcarbinylamineNSC 6367QH0285API3NSC-6367

Show more names

2-Methylbutylamine2-AMYLAMINE2-AMINOPENTANEsec-pentylamine2-Aminopentane>2-AMINOPENTANE HCL(+/-)-2-pentanamin

(1)-1-MethylbutylamineEINECS 210-886-2EINECS 264-269-8DTXSID50870715RefChem:477803Butylamine, 1-methyl-(8CI)DTXCID10818411210-886-2

Database identifiers

CAS: 41444-43-3、625-30-9、63493-28-7
PubChem CID: 12246
DTXSID: DTXSID50870715
UNII: QH0285API3
EC Number: 210-886-2、255-366-6、264-269-8
Nikkaji: J129.194G

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 27

Physicochemical properties

Melting point: 32 · 32-34 °C
Boiling point: 90.5 · 90.5-91.5 °C (lit.)
Density: 0.736 g/mL · 0.736 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4020(lit.)
Flash point: 95 °F · 95 °F
storage temp.: 2 · 2-8°C
pka: 11.04 · 11.04±0.35(Predicted)
form: clear liquid
color: Colorless to Light yellow to Light orange
JECFA Number: 1586 · 1586
BRN: 635657 · 635657
InChI: 1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3
InChIKey: IGEIPFLJVCPEKU-UHFFFAOYSA-N
SMILES: CCCC(C)N
LogP: 1.41 · 1.410 (est)
CAS DataBase Reference: 63493 · 63493-28-7(CAS DataBase Reference)
FDA UNII: 285 API3 · QH0285API3
EPA Substance Registry System: 2 · 2-Pentanamine (63493-28-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H225
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
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,F
Risk Statements: 10 · 10-34-20/21/22-11
Safety Statements: 26 · 26-36/37/39-45-36-23-16
RIDADR: 1106 · UN 1106 3/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29211990 · 29211990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 1 Flam · Eye Dam. 1Flam. Liq. 3Skin 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 · 6 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information2-Pentanamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 items

Flam. Liq. 2 (100%)；Skin Corr. 1B (100%)；Eye Dam. 1 (100%)

Flam. Liq. 3 (100%)；Skin Corr. 1B (100%)

Regulatory information

Regulatory Information2-Pentanamine: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1106 3/PG 3
hs_code: 29211990
risk_code: 10-34-20/21/22-11
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C,F
safety_code: 26-36/37/39-45-36-23-16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H314-H225
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: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
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