홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

Butyramide

HCID 10927
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
541-35-5
표준 SMILES
CCCC(N)=O
InChIKey
DNSISZSEWVHGLH-UHFFFAOYSA-N
분자식
C4H9NO
평균 분자량
87.12 g/mol
단동위원소 질량
87.06841391

개요

Butanamide is a monocarboxylic acid amide obtained by formal condensation of butanoic acid and ammonia. It is a primary fatty amide and a member of butanamides.

이름 및 식별자

우선 이름
Butyramide
IUPAC
butanamide
영어명
Butyramide
분자식
C4H9NO
분자량
87.12

이름 및 동의어

ButyramideButanamide541-35-5n-ButyramideButanimidic acidN-BUTYLAMIDEButanoic acid, amide9J6OR937VRDTXSID8060248FEMA NO. 4252NSC-8424CHEBI:50724
이름 더 보기
AMIDE C4BusyramideButyricamiden-C3H7C(O)NH2Butyramide,98%
RefChem:122350DTXCID2041595208-776-4butyrylamideButyramidn-butanamideMFCD00041894NSC 8424

데이터베이스 식별자

CAS
541-35-5
PubChem CID
10927
DTXSID
DTXSID8060248
ChEMBL
CHEMBL1231396
ChEBI
CHEBI:50724
UNII
9J6OR937VR
EC Number
208-776-4
Nikkaji
J2.639E

물성

구조 계산 물성보충 중

XLogP
-0.2
극성 표면적
43.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
6
형식 전하
0
복잡도
51.5

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> Primary amides [FA0801]
SolventsSolvents -> Amides (<C10)
SpringerMaterials PropertiesBoiling point
LogP · 3건

log Kow = -0.21

-0.21

-0.21

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.8850 @ 120 °C
Color/Form · 2건

Crystals

LEAVES FROM BENZENE

Solubility · 5건

Sol in alcohol; slightly sol in ether

INSOL IN BENZENE

In water, 163,000 mg/l @ 15 °C

163 mg/mL at 15 °C

Soluble in water

Boiling Point · 2건

216 °C

216.00 to 217.00 °C. @ 760.00 mm Hg

Melting Point · 2건

115-116 °C

115 - 116 °C

Vapor Pressure · 2건

0.00391 [mmHg]

3.91X10-3 mm Hg @ 25 °C

물리화학적 성질

녹는점
114 · 114-116 °C
끓는 점
216 °C · 216 °C
밀도
1.03 · 1.03
굴절률
1.456 · 1.4560
FEMA
4252 · 4252 | BUTYRAMIDE
인화점
216 °C · 216°C
저장 조건
Sealed in dry,Room Temperature
용해도
알코올에 용해됨(lit.)
산도 계수 (pKa)
16.67 · 16.67±0.40(Predicted)
물리적 상태
powder to crystal
색상
흰색에서 거의 흰색
냄새
100 · 100.00?%. 견과류
수용성
녹는
Merck
14 · 14,1592
JECFA Number
1593 · 1593
BRN
1361528 · 1361528
Henry's Law Constant
3.6 · 3.6×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI
1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey
DNSISZSEWVHGLH-UHFFFAOYSA-N
SMILES
CCCC(N)=O
LogP
-0.21 · -0.210
NIST
Butanamide(541-35-5)
EPA
Butanamide (541-35-5)

화학적 성질

Colorless to white crystalline powder or flakes with nutty aroma; soluble in water and alcohol, slightly soluble in ether.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Butanamide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS] See Dimethylformamide.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

독성 정보

Interactions · 3건

Studies on the effects of antidiuretic hormone (ADH) on diffusion of moderately lipophilic solutes (e.g., butyramide, isobutyramide, & antipyrine, each solute having an oil/water partition > or = 0.0008) across luminal membranes of rabbit cortical collecting tubules, & the effects of ADH on the apparent activation energies (EA, kcal/mol) for water & solute permeation across these tubules revealed that: ADH produced a 60-100% incr in the permeation rates for these solutes, the ADH-dependent apparent EA for water permeation was 9.35 kcal/mol, & the ADH-dependent apparent EA for permeation of moderately lipophilic solutes was in the range 15.8-19.6 kcal/mol. (antidiuretic hormone, Butyramide, Isobutyramide, Antipyrine)

Pyrazole, previously reported to inhibit ethanol oxidation in rats, also effectively blocked the in vivo metab of methanol, propanol, isopropanol, butanol, & isobutanol. Ethanol metab was also inhibited by a variety of oximes & amides, such as butyramide, isobutyramide, acetaldoxime, isobutyraldoxime, & butyraldoxime.

Radioactive tracer & electrolytic techniques were used to study the transport of nonelectrolytes & Na+, respectively, across toad urinary bladders in the presence & absence of antidiuretic hormone (ADH). The permeability of lipophilic mol was roughly proportional to bulk phase oil/water partition coefficients both in the presence & absence of hormone; i.e., ADH elicited a general nonselective incr in the permeation of butyramide & 8 other solutes tested.

Adverse EffectsNeurotoxin - Acute solvent syndrome
Environmental Biodegradation · 2건

Bench scale activated sludge assay. Fill and draw operation after 6 hrs 1.3% of theoretical oxygen demand; at 12 hrs 3.8% of theoretical oxygen demand; at 24 hr 6.4% of theoretical oxygen demand.

Reverse osmosis yielded 40.5% rejection from 0.01 M soln.

Non-Human Toxicity Excerpts · 1건

Treatment of Pleurodeles waltlii or Triturus helveticus cleaving eggs with 1M formamide resulted in complete destruction of mitotic spindles; centrospheres were blocked; mitotic pyknosis with disappearance of nuclei was observed. Pluripolar mitoses in which asters were separated from spindles occurred in Pleurodeles eggs treated with 0.5M formamide. In a comparative study with acetamide, propionamide, & butyramide, the effect on T. helveticus eggs was observed at smaller concn with increasing number of C atoms in the mol.

Antidote and Emergency Treatment · 2건

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29241900
risk_code
22
hazard_code
Xn
safety_code
24/25
기존화학 물질
KE-04191
스토리지 클래스
13 - Non Combustible Solids
유해 물질 데이터
541-35-5(Hazardous Substances Data)

화학 및 산업

약리 정보

Absorption, Distribution and Excretion · 1건

Lung endothelial permeabilities were determined by injecting butyramide & other test substances into the jugular vein of anesthetized dogs, followed by analysis of sequential blood samples from the carotid artery. The mathematically derived permeability surface product for butyramide was 42.

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed as a flavoring agent; [JECFA]
Methods of Manufacturing · 4건

Prepn: ...by a modified Willgerodt reaction.

Prepn: ...from butyronitrile.

Prepn: ... from butyryl chloride.

Prepn: ... from butyric acid.

Use Classification · 2건

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2건

Butanamide: ACTIVE

N-BUTYLAMIDE WAS NOT AN EFFECTIVE CRYOPROTECTANT FOR RABBIT SEMEN.

응용 분야 · 1건

용도Butyramide was used in the synthesis of hydroxamic acids, electrorheological fluids and β-amodoorganotin compounds. It was used as substrate of (+)-γ-lactamase to develop a microreactor to study enzyme stability, activity, kinetics and substrate specificity.

제조 방법 · 1건

Butyramide is prepared by amination of n-butyric acid. n-Butyric acid is heated with ammonia gas bubbled through it, and the reaction mixture reaches 200–215°C after approximately 40 hours. Heating and ammonia flow are then stopped, and the mixture is cooled below 20°C before filtration to yield butyramide.An alternative method involves reacting n-butyric acid with urea: First, heat a mixture of 8 kg of n-butyric acid and 3 kg of urea under reflux for 10 hours. Allow the mixture to cool to 70–80°C, then add a suitable amount of hot ethanol. Decolorize the hot solution, filter it while hot, and cool. The crude product obtained by filtration is recrystallised from ethanol to yield the final product.

상·하류 제품 정보

상류 원료

부탄 산알릴시아니드

하류 제품

히멕사졸N-메틸-2-피롤리디논(R,S)-2-(4-이소프로필-4-메틸-5-옥소-2-이미다졸린-2-일)퀴놀린-3-카르복실릭 산AcebutololImazethapyr클로르프로파마이드모노부틸아민염산염N-(2-하이드록시에틸)부타나미드N-에틸부탄아미드3-Methylthiopropionamide

추가 설명

정의ChEBI: Butanamide is a monocarboxylic acid amide obtained by formal condensation of butanoic acid and ammonia. It is a primary fatty amide and a member of butanamides.

관련 반응

14건
반응 기록 만들기
HRID 4398 반응식
HRID 4398반응물로uspto-grants-1988_02
HRID 299817 반응식
HRID 299817반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 393350 반응식
HRID 393350반응물로uspto-grants-2004_10
HRID 858938 반응식
HRID 858938반응물로uspto-grants-2006_12
HRID 1291713 반응식
HRID 1291713반응물로uspto-grants-1998_05
HRID 1434700 반응식
HRID 1434700반응물로uspto-grants-2009_11
HRID 1475824 반응식
HRID 1475824반응물로uspto-grants-2015_04
HRID 1475825 반응식
HRID 1475825반응물로uspto-grants-2015_04
1 / 2 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기