Basic information
- Standard SMILES
CCC(C)CN- InChIKey
VJROPLWGFCORRM-UHFFFAOYSA-N- Molecular formula
- C5H13N
- Average molar mass
- 87.16 g/mol
- Monoisotopic mass
- 87.10479942
Names & identifiers
- Preferred name
- 2-Methylbutylamine
- IUPAC
- 2-methylbutan-1-amine
- English name
- 2-METHYLBUTYLAMINE
- Molecular formula
- C5H13N
- Molecular weight
- 87.16
Names & synonyms
2-METHYLBUTYLAMINE96-15-12-methylbutan-1-amine1-Amino-2-methylbutane1-Butanamine, 2-methyl-2-Methyl-1-butanamine2-Methylbutanamine2-Methyl-1-butylamineButylamine, 2-methyl-DPW8I9AO832-ETHYLPROPYLAMINEEINECS 202-483-5
Show more names
(S)-2-methylbutan-1-aminePentan-2-amineActive amylamine2-Methylbutylamin2-MehtylbutylamineRARECHEM AL BW 01932-methyl-1-butanaminbutylamine,2-methyl-
DL-2-METHYLBUTYLAMINE.BETA.-METHYLBUTYLAMINEFEMA NO. 4241DTXSID008616982-METHYLBUTYLAMINE [FHFI]RefChem:476007(+-)-2-MethylbutylamineBETA-METHYLBUTYLAMINE
Database identifiers
- CAS
96-15-1- PubChem CID
- 7283
- DTXSID
DTXSID00861698- ChEMBL
CHEMBL294955- UNII
- DPW8I9AO83
- EC Number
- 202-483-5
- Nikkaji
- J95.662G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 27.1
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.777-0.779
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in water
Soluble (in ethanol)
Boiling Point96 °C
Refractive Index1.417-1.423
Physical DescriptionColourless to yellowish liquid; Fishy aroma
Physicochemical properties
- Melting point
- -70 °C · -70°C (estimate)
- Boiling point
- 94 · 94-97 °C(lit.)
- Density
- 0.738 g/mL · 0.738 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4116(lit.)
- FEMA
- 4241 · 4241 | 2-METHYLBUTYLAMINE
- FLAVIS Number
- 11.02 · 11.020 | 2-Methylbutylamine
- Flash point
- 38 °F · 38 °F
- storage temp.
- Flammables area
- solubility
- alcohols and water: soluble(lit.)
- form
- Liquid
- pka
- 10.75 · 10.75±0.10(Predicted)
- color
- Clear colorless to slightly yellow
- Odor
- fishy
- JECFA Number
- 1586 · 1586
- BRN
- 1718806 · 1718806
- InChI
- 1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3
- InChIKey
- VJROPLWGFCORRM-UHFFFAOYSA-N
- SMILES
- CCC(C)CN
- LogP
- 1.28 · 1.28
- CAS DataBase Reference
- 96 · 96-15-1(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2-METHYLBUTYLAMINE
- FDA UNII
- 8 I9AO83 · DPW8I9AO83
- EPA Substance Registry System
- 1 · 1-Butanamine, 2-methyl- (96-15-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312+H332-H314
- Precautionary statements
- 210 · P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-20/21/22-34
- Safety Statements
- 16 · 16-23-26-36-36/37/39-45
- RIDADR
- 2733 · UN 2733 3/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
- HS Code
- 29211999 · 29211999
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralFlam · Acute Tox. 4 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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1-Butanamine, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
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 2733 3/PG 2
- hs_code
- 29211999
- risk_code
- 11-20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- F,C
- safety_code
- 16-23-26-36-36/37/39-45
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302+H312+H332-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. 4 OralFlam. Liq. 2Skin Corr. 1B
- Precautionary statements
- P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Butanamine, 2-methyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
长沙晶康新材料科技有限公司0733-0731-85118349 18229890050 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
科瑞希（天津）新材料技术有限公司022-83945173 18622315263 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
BOC Sciences[email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Aladdin Scientific[email protected]
上海巨启化学科技有限公司+86-021-34943721; +86-18616806816 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
上海凡坦希生化科技有限公司19251267229 · [email protected]
Related reactions
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